7Y90

Crystal Structure Analysis of cp1 bound BCL2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	65.602, 99.611, 52.456
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.820 - 2.090
R-factor	0.22281
Rwork	0.220
R-free	0.27562
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.869
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	2.140
High resolution limit [Å]	2.090	5.700	2.100
Rmerge	0.105	0.080	0.448
Rmeas	0.109	0.084	0.471
Rpim	0.031	0.025	0.141
Number of reflections	10380	581	513
<I/σ(I)>	7.4
Completeness [%]	100.0	100	100
Redundancy	12.5	11.4	10.5
CC(1/2)	0.983	0.993	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1M Bis-Tris pH6.5, 2.0M Ammonium Sulfate