4NV6

C212A mutant of Synechococcus VKOR

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]	77
Detector technology	CCD
Collection date	2012-10-22
Detector	ADSC QUANTUM 315
Spacegroup name	P 61
Unit cell lengths	139.563, 139.563, 68.724
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.683 - 4.190
R-factor	0.3022
Rwork	0.299
R-free	0.33110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.842
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PARROT
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	4.270
High resolution limit [Å]	4.190	4.190
Rmerge	0.111	0.949
Number of reflections	5732
<I/σ(I)>	16.4	2.3
Completeness [%]	99.9	100
Redundancy	9.5	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	A 20mg/ml protein solution was mixed overnight with 15mg/ml DOPC (1,2-dioleoyl-sn-glycero-3-phosphocholine), and 0.5% DDM. This mixture was crystallized with a buffer containing 11% PEG1500, 8% glycerol, 5% ethanol, 0.1M MgCl2, 0.1M NaCl, and 0.1M sodium cacodylate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K