7BMQ

HEWL in cesium chloride (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	78.753, 78.753, 36.812
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.380 - 1.790
R-factor	0.2115
Rwork	0.209
R-free	0.25700
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.784
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]	39.380	39.380	1.820
High resolution limit [Å]	1.790	9.100	1.790
Rmerge	0.104	0.085	0.452
Rmeas	0.106	0.087	0.478
Rpim	0.023	0.018	0.147
Total number of observations		2194	4371
Number of reflections	11383	119	502
<I/σ(I)>	24.9	47.4	4.5
Completeness [%]	98.7	99.5	78.6
Redundancy	19.5	18.4	8.7
CC(1/2)	0.999	0.999	0.881

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