7M5A

Crystal Structure of human BAK in complex with W3W5_BID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	I 2 2 2
Unit cell lengths	65.855, 70.847, 71.393
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.697 - 1.500
R-factor	0.1866
Rwork	0.185
R-free	0.21920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vwz
RMSD bond length	0.008
RMSD bond angle	0.940
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.048	0.033	0.500
Rmeas	0.052	0.035	0.556
Rpim	0.019	0.014	0.235
Total number of observations	185563
Number of reflections	26921	1445	1262
<I/σ(I)>	13.5
Completeness [%]	99.3	98.4	96.9
Redundancy	6.9	6.5	4.9
CC(1/2)		0.999	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.2 M Potassium Sodium tartrate, 20% PEG 3350