3VCZ

1.80 Angstrom resolution crystal structure of a putative translation initiation inhibitor 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)	0.99984
Spacegroup name	C 1 2 1
Unit cell lengths	71.877, 86.580, 68.162
Unit cell angles	90.00, 90.67, 90.00

Refinement procedure

Resolution	29.130 - 1.800
R-factor	0.1566
Rwork	0.155
R-free	0.18286
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qu9
RMSD bond length	0.008
RMSD bond angle	1.487
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	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.057	0.390
Number of reflections	38405
<I/σ(I)>	20.78	2.64
Completeness [%]	99.6	94
Redundancy	3.8	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	295	Protein: 7.5 mg/mL in 10 mM Tris-HCl pH 8.3, 0.5 M NaCl, 5 mM BME. Crystallization: The JCSG+ Suite (condition D11: 0.14 M CaCl2, 0.07 M Na acetate pH 4.6, 14 % (v/v) isopropanol, 30 % (v/v) glycerol) , VAPOR DIFFUSION, SITTING DROP, temperature 295K