7YNW

Crystal structure of O-(2-nitrobenzyl)-L-tyrosine-tRNA sythetase in complex with O-(2-nitrobenzyl)-L-tyrosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	93
Detector technology	PIXEL
Collection date	2021-11-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 65 2 2
Unit cell lengths	83.480, 83.480, 488.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.590 - 2.790
R-factor	0.2621
Rwork	0.260
R-free	0.29730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j1u
RMSD bond length	0.003
RMSD bond angle	0.589
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.590	41.590	2.800
High resolution limit [Å]	2.640	7.920	2.640
Rmerge	0.146	0.038
Rmeas	0.148	0.039	15.497
Number of reflections	26487	1410	4900
<I/σ(I)>	17.35	86.79	0.16
Completeness [%]	99.9	98.5	99.9
Redundancy	36.042	32.217	34.084
CC(1/2)	1.000	0.999	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	20% PEG300, 3% PEG8000, 100 mM Tris-HCl (pH8.0), 10% glycerol