7BMW

p62PH in cesium chloride (0.75 M CsCl in 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	C 2 2 21
Unit cell lengths	40.250, 101.760, 75.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.120 - 1.900
R-factor	0.1989
Rwork	0.198
R-free	0.22130
Structure solution method	SAD
RMSD bond length	0.019
RMSD bond angle	1.930
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]	42.120	42.120	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.123	0.086	1.392
Rmeas	0.125	0.088	1.421
Rpim	0.025	0.018	0.283
Total number of observations		3247	17430
Number of reflections	12177	142	739
<I/σ(I)>	17.4	44.9	2.2
Completeness [%]	97.4	99.5	93.6
Redundancy	24.7	22.9	23.6
CC(1/2)	0.998	0.999	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.9 M potassium chloride, 17 % (w/v) PEG 4000