3TAO
Structure of Mycobacterium tuberculosis triosephosphate isomerase bound to phosphoglycolohydroxamate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.978 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 134.026, 55.736, 76.941 |
| Unit cell angles | 90.00, 104.03, 90.00 |
Refinement procedure
| Resolution | 28.882 - 1.450 |
| R-factor | 0.1624 |
| Rwork | 0.161 |
| R-free | 0.18350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.304 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.650 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 94064 | |
| Completeness [%] | 96.4 | 86.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 16% PEG3350, 250 mM ammonium citrate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
