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 |