3OFV

Crystal structure of peptidyl-tRNA hydrolase from Escherichia Coli, I222 crystal form

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	2007-10-26
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	74.380, 96.960, 207.678
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.480 - 3.200
R-factor	0.22927
Rwork	0.226
R-free	0.28298
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pth
RMSD bond length	0.011
RMSD bond angle	1.477
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (refmac_5.6.0081)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.310
High resolution limit [Å]	3.200	6.890	3.200
Rmerge	0.211	0.059	0.559
Number of reflections	12759
<I/σ(I)>	4.9
Completeness [%]	99.9	98.9	100
Redundancy	7.2	6.6	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	20% PEG3350, 0.2M K/NA TARTRATE, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K