1UPI
Mycobacterium tuberculosis rmlC epimerase (Rv3465)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2001-06-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 64.905, 64.905, 87.203 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 - 1.700 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dzr |
| RMSD bond length | 0.021 * |
| RMSD bond angle | 1.786 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR (V. 2.5) |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.900 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.052 | 0.410 |
| Number of reflections | 23837 | 1839 * |
| <I/σ(I)> | 46.82 | 2.49 |
| Completeness [%] | 99.2 | 93.8 |
| Redundancy | 4.4 * | 4.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 0.5 + 0.5 UL SITTING DROPS IN INTELLIPLATES, 0.1 M NA-CITRATE BUFFER, PH 5.5, 46% PEG-MME 2K AND 3 % LDAO B-MERCAPTO-ETHANOL IN PROTEIN STOCK |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 26 (mg/ml) | |
| 2 | 1 | reservoir | sodium citrate | 0.1 (M) | pH5.5 |
| 3 | 1 | reservoir | PEG2000MME | 28 (%) | |
| 4 | 1 | reservoir | LDAO | 0.33 (%) |
