2AE5 | pdb_00002ae5

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, HANGING DROP	7	295	PEG 8000, Tris, magnesium chloride, cacodylate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystal Properties
Matthews coefficient	Solvent content
3.4	63.5

Symmetry
Space Group	P 41 21 2

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	CCD	ADSC QUANTUM 210		2005-05-23	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	PAL/PLS BEAMLINE 4A	0.95	PAL/PLS	4A

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge I (Observed)	Net I Over Average Sigma (I)	Redundancy	Number Reflections (All)	Number Reflections (Observed)	Observed Criterion Sigma (F)	Observed Criterion Sigma (I)	B (Isotropic) From Wilson Plot
1	2.1	95.35	90.5	0.095		5.7		57515

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	2.1	2.18		81	0.453		5

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Resolution (High)	Resolution (Low)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (All)	R-Work (Depositor)	R-Free (Depositor)	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	2.24	50	48502	2472	92.46	0.175	0.173	0.209	RANDOM	23.787

Temperature Factor Modeling
Anisotropic B[1][1]	Anisotropic B[1][2]	Anisotropic B[1][3]	Anisotropic B[2][2]	Anisotropic B[2][3]	Anisotropic B[3][3]
0.78			0.78		-1.55

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_1_deg	6.018
r_scangle_it	2.412
r_sphericity_free	2.396
r_scbond_it	1.472
r_angle_refined_deg	1.231
r_mcangle_it	1.103
r_sphericity_bonded	0.95
r_rigid_bond_restr	0.833
r_angle_other_deg	0.827
r_mcbond_it	0.616

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	5363
Nucleic Acid Atoms
Solvent Atoms	382
Heterogen Atoms	11

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_1_deg	6.018
r_scangle_it	2.412
r_sphericity_free	2.396
r_scbond_it	1.472
r_angle_refined_deg	1.231
r_mcangle_it	1.103
r_sphericity_bonded	0.95
r_rigid_bond_restr	0.833
r_angle_other_deg	0.827
r_mcbond_it	0.616
r_symmetry_vdw_other	0.261
r_nbd_other	0.238
r_nbd_refined	0.201
r_xyhbond_nbd_refined	0.129
r_symmetry_vdw_refined	0.096
r_nbtor_other	0.081
r_chiral_restr	0.076
r_symmetry_hbond_refined	0.058
r_bond_refined_d	0.011
r_gen_planes_refined	0.005
r_gen_planes_other	0.003
r_bond_other_d	0.002

.id_divider{ color: #ccc; padding: 0 10px 0 10px; } .extended_id_info{ color: #ccc; font-size: 18px; position: relative; top: -10px; left:-5px; } 2AE5 | pdb_00002ae5