1HTO

CRYSTALLOGRAPHIC STRUCTURE OF A RELAXED GLUTAMINE SYNTHETASE FROM MYCOBACTERIUM TUBERCULOSIS

Experimental procedure

Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	CCD
Collection date	1997-07-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	207.720, 257.690, 274.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.228
Rwork	0.227
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f52
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	X-PLOR
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.075	0.075
Number of reflections	566370
<I/σ(I)>	4.5
Completeness [%]	99.6	98.8
Redundancy	4.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	PEG 4000, sodium citrate, sodium chloride, manganese chloride, imidazole buffer, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K