3S4K
Structure of a putative esterase Rv1847/MT1895 from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-14 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 41.722, 50.642, 60.506 |
| Unit cell angles | 90.00, 92.76, 90.00 |
Refinement procedure
| Resolution | 38.820 - 1.700 |
| R-factor | 0.1727 |
| Rwork | 0.171 |
| R-free | 0.19700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q4t |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.357 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
| Rmerge | 0.083 | 0.052 | 0.235 |
| Number of reflections | 27452 | ||
| <I/σ(I)> | 10.7 | ||
| Completeness [%] | 98.9 | 99.5 | 86.7 |
| Redundancy | 4.3 | 4.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289 | 0.2M LiCl, 0.1M MES pH 6.0, 20% PEG6000. Cryo protection in 25% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
