6KL8

Crystal structure of Piptidyl t-RNA hydrolase from Acinetobacter baumannii with bound NaCl at the substrate binding site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2019-07-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	33.961, 66.099, 75.825
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.010 - 1.940
Rwork	0.127
R-free	0.16380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6j93
RMSD bond length	0.011
RMSD bond angle	1.661
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.010	2.050
High resolution limit [Å]	1.940	1.940
Rmeas	0.043	0.049
Number of reflections	12479	3616
<I/σ(I)>	26.18	21.11
Completeness [%]	94.0	91.1
Redundancy	2.89	2.72
CC(1/2)	0.996	0.996

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, 15% Glycerol