7WT6

Crystal structure of full-length peptidyl-tRNA hydrolase from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976254
Spacegroup name	P 21 21 21
Unit cell lengths	36.581, 39.003, 123.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.200 - 1.940
R-factor	0.1712
Rwork	0.169
R-free	0.21450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2z2i
RMSD bond length	0.006
RMSD bond angle	0.793
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.201	1.970
High resolution limit [Å]	1.937	1.937
Rmerge	0.149	0.720
Rmeas	0.159	0.780
Rpim	0.055	0.290
Number of reflections	13646	587
<I/σ(I)>	11.4	2.5
Completeness [%]	98.6	87.7
Redundancy	8	6.3
CC(1/2)	0.996	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293.15	25% (W/V) PEG 8000, 0.1M HEPES pH 7.5 5% (V/V) 2-propanol