7M5B

Crystal Structure of human BAK in complex with M3W5_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	2018-10-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	50.190, 83.176, 110.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.078 - 1.850
R-factor	0.1715
Rwork	0.170
R-free	0.20510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vwz
Data reduction software	HKL-2000
Data scaling software	HKL-2000 (1.11.1_2575)
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3546)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.037	0.016	0.863
Rmeas	0.041	0.018	0.973
Rpim	0.016	0.007	0.437
Total number of observations	222410
Number of reflections	39200	2061	1698
<I/σ(I)>	14.3
Completeness [%]	96.5	93	85.2
Redundancy	5.7	5.6	4.2
CC(1/2)		0.999	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	293	15% PEG 4000 0.2 M NaCl 0.1 MES 6.5