3NEA

Crystal Structure of Peptidyl-tRNA hydrolase from Francisella tularensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-08-28
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	60.683, 93.043, 33.027
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.030 - 2.250
R-factor	0.193
Rwork	0.190
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pth
RMSD bond length	0.013
RMSD bond angle	1.291
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.330
High resolution limit [Å]	2.250	4.850	2.250
Rmerge	0.140	0.065	0.490
Number of reflections	9412
<I/σ(I)>	6
Completeness [%]	100.0	99.7	100
Redundancy	6.6	6.1	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	25% PEG3350, 0.2M MgCl2, 0.1M Bis-Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	25% PEG3350, 0.2M MgCl2, 0.1M Bis-Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	25% PEG3350, 0.2M MgCl2, 0.1M Bis-Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	25% PEG3350, 0.2M MgCl2, 0.1M Bis-Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	25% PEG3350, 0.2M MgCl2, 0.1M Bis-Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	25% PEG3350, 0.2M MgCl2, 0.1M Bis-Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	25% PEG3350, 0.2M MgCl2, 0.1M Bis-Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	25% PEG3350, 0.2M MgCl2, 0.1M Bis-Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	25% PEG3350, 0.2M MgCl2, 0.1M Bis-Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	25% PEG3350, 0.2M MgCl2, 0.1M Bis-Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K