1JII

Crystal structure of S. aureus TyrRS in complex with SB-219383

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1996-06-06
Detector	SIEMENS
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	71.560, 98.450, 142.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 3.200
R-factor	0.269 *
Rwork	0.269
R-free	0.33500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	B. stearothermophilus
RMSD bond length	0.010
RMSD bond angle	1.900
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.000	3.240
High resolution limit [Å]	3.200	3.200
Rmerge	0.122	0.296
Total number of observations	31808 *
Number of reflections	8530
<I/σ(I)>	7.9	1.9
Completeness [%]	99.0	99
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.25	298	PEG 1000, CaCl2, pH 7.25, VAPOR DIFFUSION, SITTING DROP at 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG1000	12-15 (M)
3	1	reservoir		0.15 (M)
4	1	reservoir	imidazole	0.2 (M)