5YLA

Crystal structure of a dimeric peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.67 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96600
Spacegroup name	P 21 21 21
Unit cell lengths	34.560, 98.100, 123.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.900 - 1.680
R-factor	0.16229
Rwork	0.161
R-free	0.19437
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y98
RMSD bond length	0.019
RMSD bond angle	1.898
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.900	1.700
High resolution limit [Å]	1.670	1.670
Rmerge	0.061	0.793
Number of reflections	49106
<I/σ(I)>	14.8	2.1
Completeness [%]	99.4	99.7
Redundancy	4.8	4.9
CC(1/2)	0.999	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	50 mm Na-HEPES, PEG 1500, pH 7.5