7BMZ

p62PH in potassium chloride

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.7712
Spacegroup name	C 2 2 21
Unit cell lengths	34.736, 106.174, 76.209
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.560 - 2.500
R-factor	0.2057
Rwork	0.202
R-free	0.26570
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.598
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.560	43.560	2.600
High resolution limit [Å]	2.500	9.020	2.500
Rmerge	0.142	0.075	1.176
Rmeas	0.149	0.079	1.272
Rpim	0.041	0.023	0.473
Total number of observations		1534	3604
Number of reflections	5119	135	521
<I/σ(I)>	14.4	32.8	1.6
Completeness [%]	99.1	99.5	93
Redundancy	12.5	11.4	6.9
CC(1/2)	0.997	0.997	0.633

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.9 M potassium chloride, 19 % (w/v) PEG 4000