6LSO

Crystal structure of a dimeric inhibited of peptidyl tRNA hydrolase at 1.76A resolution

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	34.560, 98.330, 123.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.740 - 1.760
Rwork	0.183
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yn4
RMSD bond length	0.011
RMSD bond angle	1.617
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.740	1.800
High resolution limit [Å]	1.760	1.760
Rmerge	0.130	0.470
Rmeas	0.140	0.510
Rpim	0.058	0.200
Number of reflections	42085	3123
<I/σ(I)>	8.4	2.9
Completeness [%]	98.0	95
Redundancy	6.2	5.9
CC(1/2)	0.991	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	100mM HEPES, 20% PEG 1500