7KOM

High Resolution Crystal Structure of Putative Pterin Binding Protein PruR (VV2_1280) from Vibrio vulnificus CMCP6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	I 2 2 2
Unit cell lengths	33.046, 71.087, 106.359
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.600 - 0.990
R-factor	0.1205
Rwork	0.119
R-free	0.14100
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.530
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.010
High resolution limit [Å]	0.990	0.990
Rmerge	0.075	0.679
Rmeas	0.081	0.740
Rpim	0.030	0.288
Number of reflections	65367	2840
<I/σ(I)>	45.1	3.2
Completeness [%]	93.4	82.2
Redundancy	7.3	6
CC(1/2)		0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	292	Protein: 7.2 mg/ml, 0.5M Sodium chloride, 0.01M Tris HCl (pH 8.3); Screen: Classics II (A7), 0.1M Citric acid (pH 3.5), 3.0M Sodium chloride. Cryo: 4.0M Formate