6WV6

Human VKOR with phenindione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 21 21 2
Unit cell lengths	155.019, 84.878, 42.558
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.300 - 2.700
R-factor	0.228
Rwork	0.226
R-free	0.26780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b3p
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18_3855)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.117	0.040	0.646
Rmeas	0.142	0.049	0.789
Rpim	0.079	0.028	0.446
Total number of observations	45677
Number of reflections	15647	863	738
<I/σ(I)>	6.8
Completeness [%]	97.1	94.3	94.4
Redundancy	2.9	2.8	2.7
CC(1/2)		0.999	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.5	295	34% PEG400, 80 mM lithium sulfate, 0.1 M MES, pH 6.5