7CKI

Crystal structure of Tryptophanyl-tRNA synthetase from Bacillus stearothermophilus in complex with chuangxinmycin 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	2018-01-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97854
Spacegroup name	P 43 21 2
Unit cell lengths	61.988, 61.988, 218.066
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.937 - 2.300
R-factor	0.1685
Rwork	0.165
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i6m
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	2.350
High resolution limit [Å]	2.300	6.920	2.300
Rmerge	0.415	0.125	1.634
Rmeas	0.426	0.129	1.712
Rpim	0.092	0.029	0.492
Number of reflections	28943	871	730
<I/σ(I)>	3.5
Completeness [%]	100.0	99.9	99.7
Redundancy	20.2	19.6	9.3
CC(1/2)		0.997	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	310	1.8 M K2HPO4