3V4G

1.60 Angstrom resolution crystal structure of an arginine repressor from Vibrio vulnificus CMCP6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97903
Spacegroup name	P 63 2 2
Unit cell lengths	73.308, 73.308, 118.597
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.650 - 1.600
R-factor	0.18246
Rwork	0.182
R-free	0.19787
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1XXB and 1F9N
RMSD bond length	0.008
RMSD bond angle	1.602
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.063	0.514
Number of reflections	25607
<I/σ(I)>	38.3	6.25
Completeness [%]	100.0	100
Redundancy	14	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	protein: 7.3 mg/mL in 10 mM Tris-HCl pH 8.3, 0.25 M NaCl, 5 mM BME. Crystallization: The Classics II Suite (A9: 0.1 M Bis-Tris pH 5.5, 3 M NaCl). Cryo: 5M NaCl+50% sucrose, VAPOR DIFFUSION, SITTING DROP, temperature 295K