3GVG
Crystal structure of Triosephosphate isomerase from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-03-19 |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 133.120, 55.760, 76.420 |
| Unit cell angles | 90.00, 104.01, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.550 |
| R-factor | 0.145 |
| Rwork | 0.143 |
| R-free | 0.16900 |
| Structure solution method | MR |
| Starting model (for MR) | 1yya modified with the ccp4 program chainsaw |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.700 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.150 | 1.590 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.064 | 0.515 |
| Number of reflections | 78636 | |
| <I/σ(I)> | 13.89 | 2.5 |
| Completeness [%] | 99.5 | 98.2 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | JCSG+ A3: 200MM (NH4)2H CITRATE, 20% PEG 3350, MYTUD.00317.A AT 30MG/ML, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
