5CIO

Crystal structure of PqqF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97845
Spacegroup name	C 1 2 1
Unit cell lengths	175.090, 133.370, 92.110
Unit cell angles	90.00, 119.40, 90.00

Refinement procedure

Resolution	47.512 - 2.500
R-factor	0.2015
Rwork	0.199
R-free	0.25450
RMSD bond length	0.010
RMSD bond angle	1.056
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	HKL-3000
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.512	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.135
Number of reflections	63299
<I/σ(I)>	11.95	1.92
Completeness [%]	99.1	99.3
Redundancy	6.9	7.08

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	35% Tacsimate