7YA5

Crystal structure analysis of cp1 bound BCL2/G101V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-05-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	37.726, 50.054, 48.693
Unit cell angles	90.00, 107.58, 90.00

Refinement procedure

Resolution	29.220 - 1.850
R-factor	0.1934
Rwork	0.191
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.884
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

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	0.087	0.073	0.342
Rmeas	0.106	0.089	0.420
Rpim	0.059	0.049	0.239
Total number of observations	39933
Number of reflections	13695	764	522
<I/σ(I)>	6.7
Completeness [%]	92.1	97.8	71.9
Redundancy	2.9	3	2.5
CC(1/2)		0.990	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	Calcium acetate, PEG 3350