7BMU

p62PH 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	2016-10-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.7712
Spacegroup name	C 2 2 21
Unit cell lengths	34.462, 106.517, 75.899
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.260 - 1.900
R-factor	0.1652
Rwork	0.162
R-free	0.22410
Structure solution method	SAD
RMSD bond length	0.019
RMSD bond angle	2.004
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.900	75.900	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.080	0.070	0.450
Rmeas	0.082	0.072	0.465
Rpim	0.017	0.016	0.114
Total number of observations	236591	2593	9776
Number of reflections	11097	133	643
<I/σ(I)>	28.7	56.2	6.9
Completeness [%]	97.4	99.7	90
Redundancy	21.3	19.5	15.2
CC(1/2)	0.999	0.999	0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.8 M potassium chloride, 17 % (w/v) PEG 4000