8IGC

Crystal structure of Bak bound to Bnip5 BH3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	93
Detector technology	CCD
Collection date	2022-10-13
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	88.736, 126.212, 41.779
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.400 - 1.697
R-factor	0.2046
Rwork	0.203
R-free	0.22560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.755
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.697	1.697
Number of reflections	25537	1249
<I/σ(I)>	49.1
Completeness [%]	96.5
Redundancy	7.2
CC(1/2)	0.996	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.7 M sodium citrate tribasic dehydrate and 0.1 M Tris-HCl (pH 8.5)