7CSN

Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.00 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-01
Detector	PSI PILATUS 6M
Wavelength(s)	0.9720
Spacegroup name	P 21 21 21
Unit cell lengths	34.000, 66.250, 76.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.147 - 1.000
Rwork	0.145
R-free	0.15690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6j93
RMSD bond length	0.026
RMSD bond angle	2.514
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.150	1.020
High resolution limit [Å]	1.000	1.000
Rmerge	0.090	0.790
Rpim	0.040	0.420
Number of reflections	90567	6825
<I/σ(I)>	11.1	2.4
Completeness [%]	96.7	98.8
Redundancy	9.5	8.5
CC(1/2)	0.996	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	12% PEG 1500, 0.1M HEPES, pH 7.5, 20% Glycerol