7EER

Crystal structure of Tryptophanyl-tRNA synthetase from Bacillus stearothermophilus in complex with 05E6 and ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-10-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97861
Spacegroup name	C 1 2 1
Unit cell lengths	87.627, 87.595, 217.084
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.242 - 2.000
R-factor	0.2237
Rwork	0.223
R-free	0.25470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cki
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.059	0.031	0.427
Rmeas	0.064	0.033	0.466
Rpim	0.025	0.013	0.184
Total number of observations	1018876
Number of reflections	170735	18119	16589
<I/σ(I)>	7.6
Completeness [%]	95.1	99.3	92.7
Redundancy	6	6.7	5.9
CC(1/2)		0.999	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	310	1.9 M K2HPO4