3DC2

Crystal structure of serine bound D-3-phosphoglycerate dehydrogenase from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2004-07-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9
Spacegroup name	P 65 2 2
Unit cell lengths	165.192, 165.192, 218.894
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.570 - 2.700
R-factor	0.22433
Rwork	0.222
R-free	0.26324
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ygy
RMSD bond length	0.019
RMSD bond angle	1.765
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.570	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.037	0.420
Number of reflections	48518
<I/σ(I)>	19.2	2.8
Completeness [%]	99.2	99.9
Redundancy	20.8	19.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	sodium-potassium tartrate, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K