7Y8D

Crystal structure of cp1 bound BCLxl

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	2020-04-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	69.803, 99.366, 51.359
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.730 - 2.000
R-factor	0.1903
Rwork	0.188
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AF2
RMSD bond length	0.011
RMSD bond angle	1.910
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.070	0.029	0.663
Rmeas	0.073	0.030	0.693
Rpim	0.020	0.008	0.197
Total number of observations	156882
Number of reflections	12248	678	597
<I/σ(I)>	7.1
Completeness [%]	98.2	98.1	95.7
Redundancy	12.8	12	11.7
CC(1/2)		1.000	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	277	0.1M HEPES pH7.5, 2.0M Ammonium formate