7BMP

HEWL in cesium chloride (0.25 M CsCl in protein buffer 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	2016-10-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.7712
Spacegroup name	P 43 21 2
Unit cell lengths	78.952, 78.952, 36.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.480 - 1.900
R-factor	0.157
Rwork	0.155
R-free	0.19530
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.790
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]	39.480	39.480	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.057	0.039	0.174
Rmeas	0.058	0.040	0.179
Rpim	0.012	0.008	0.039
Total number of observations		2363	12322
Number of reflections	9678	119	619
<I/σ(I)>	43.4	68	17
Completeness [%]	100.0	99.5	100
Redundancy	22.1	19.9	19.9
CC(1/2)	1.000	1.000	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293.15	50 mM sodium acetate pH 4.5, 1.71 M sodium chloride