7BMS

HEWL in cesium chloride (1.5 M CsCl in crystallization condition and cryo protectant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.71075
Spacegroup name	P 43 21 2
Unit cell lengths	75.928, 75.928, 35.707
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.960 - 1.750
R-factor	0.1766
Rwork	0.175
R-free	0.20930
Structure solution method	SAD
RMSD bond length	0.028
RMSD bond angle	2.005
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.960	37.960	1.780
High resolution limit [Å]	1.750	9.090	1.750
Rmerge	0.157	0.172	0.421
Rmeas	0.161	0.177	0.454
Rpim	0.033	0.037	0.166
Total number of observations		2236	4113
Number of reflections	10988	110	556
<I/σ(I)>	18.3	26.6	4.5
Completeness [%]	99.6	99.5	95.2
Redundancy	20.3	20.3	7.4
CC(1/2)	0.996	0.995	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293.15	50 mM sodium acetate pH 4.5, 1.5 M cesium chloride