6LSP

Crystal structure of a dimeric Piptidyl t-RNA hydrolase from Acinetobacter baumannii at 1.50 A resolution reveals an inhibited form.

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	2019-12-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	34.580, 98.540, 123.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.300 - 1.500
R-factor	0.1701
Rwork	0.170
R-free	0.19680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yn4
RMSD bond length	0.006
RMSD bond angle	0.821
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.560	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.100	0.530
Rmeas	0.108	0.580
Rpim	0.042	0.220
Number of reflections	68761	4972
<I/σ(I)>	11.2	3.4
Completeness [%]	100.0	99.92
Redundancy	6.5	6.4
CC(1/2)	0.990	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20% PEG 1500, 0.1M HEPES, pH 7.5, 22% Glycerol