3VOS

Crystal structure of Aspartate semialdehyde dehydrogenase Complexed With glycerol and sulfate From Mycobacterium tuberculosis H37Rv

Replaces:  3LLGReplaces:  3KUB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.067
Spacegroup name	F 4 3 2
Unit cell lengths	267.370, 267.370, 267.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.420 - 2.180
R-factor	0.18126
Rwork	0.181
R-free	0.19444
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gyy
RMSD bond length	0.007
RMSD bond angle	1.146
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.220
High resolution limit [Å]	2.180	2.180
Rmerge	0.154	0.953
Number of reflections	43078
<I/σ(I)>	14.1	2.2
Completeness [%]	99.9
Redundancy	8.2	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	100MM CITRIC ACID, 1.6M AMSO4, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K