6WV8

Takifugu rubripes VKOR-like C138S mutant with vitamin K1

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	2017-08-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	55.167, 61.490, 167.211
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.570 - 3.010
R-factor	0.2573
Rwork	0.255
R-free	0.29270
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	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmerge	0.130	0.045	0.690
Rmeas	0.159	0.055	0.850
Rpim	0.091	0.031	0.487
Total number of observations	30113
Number of reflections	10986	598	562
<I/σ(I)>	6.9
Completeness [%]	93.9	88.3	98.9
Redundancy	2.7	2.7	2.8
CC(1/2)		0.996	0.413

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	295	25% PEG 400, 300 mM ammonium fluoride, 0.1 M MES pH 6.0