6JQT

Crystal structure of ordered Asn70 and Asn116 in native peptidyl t-RNA hydrolase from Acinetobacter baumannii at 1.80 Angstrom resolution.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-08
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 21 21 21
Unit cell lengths	33.918, 66.290, 75.968
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.950 - 1.800
R-factor	0.20747
Rwork	0.205
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6j93
RMSD bond length	0.011
RMSD bond angle	1.697
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.950	1.880
High resolution limit [Å]	1.800	1.800
Rmeas	0.143	0.383
Number of reflections	16506	3101
<I/σ(I)>	12.57	3.23
Completeness [%]	87.2	81.7
Redundancy	2.3	2.1
CC(1/2)	0.900	0.880

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