7M5C

Crystal Structure of human BAK in complex with WT BAK BH3 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	89.385, 132.215, 89.379
Unit cell angles	90.00, 119.20, 90.00

Refinement procedure

Resolution	29.340 - 3.060
R-factor	0.2157
Rwork	0.213
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vwz
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.590	29.590	3.140
High resolution limit [Å]	3.060	13.690	3.060
Rmerge	0.121	0.043	0.596
Rmeas	0.148	0.052	0.774
Rpim	0.083	0.029	0.487
Total number of observations	86262	1024	3029
Number of reflections	30995	341	1458
<I/σ(I)>	7	22.2	1.3
Completeness [%]	91.1	85.1	58.7
Redundancy	2.8	3	2.1
CC(1/2)	0.990	0.995	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	293	0.1 M MES (pH 6.5), 0.5 M Ammonium Sulfate