7BMR

HEWL in cesium chloride (0.25 M CsCl in protein buffer and 1.71 M CsCl in cryo protectant)

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	78.968, 78.968, 36.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.480 - 1.780
R-factor	0.1791
Rwork	0.177
R-free	0.21200
Structure solution method	SAD
RMSD bond length	0.020
RMSD bond angle	2.040
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	1.820
High resolution limit [Å]	1.780	9.100	1.780
Rmerge	0.152	0.146	0.460
Rmeas	0.156	0.149	0.488
Rpim	0.033	0.033	0.155
Total number of observations		2102	4158
Number of reflections	11475	119	508
<I/σ(I)>	18.1	25.3	4.5
Completeness [%]	98.9	99.5	80.4
Redundancy	19.4	17.7	8.2
CC(1/2)	0.996	0.994	0.882

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