7BMO

HEWL in cesium chloride (0.25 M CsCl in protein buffer)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.7712
Spacegroup name	P 43 21 2
Unit cell lengths	78.628, 78.628, 36.755
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.310 - 1.900
R-factor	0.2105
Rwork	0.208
R-free	0.25430
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.572
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]	39.310	39.310	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.061	0.030	1.650
Rmeas	0.062	0.031	1.714
Rpim	0.013	0.007	0.454
Total number of observations		2176	8017
Number of reflections	9509	116	582
<I/σ(I)>	35.8	83.9	1.5
Completeness [%]	99.5	99.5	96.1
Redundancy	19.7	18.8	13.8
CC(1/2)	1.000	1.000	0.684

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