3P2M
Crystal Structure of a Novel Esterase Rv0045c from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.07176 |
| Spacegroup name | P 31 |
| Unit cell lengths | 73.465, 73.465, 48.063 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.350 - 2.800 |
| R-factor | 0.22 |
| Rwork | 0.217 |
| R-free | 0.28600 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.570 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 7159 | |
| <I/σ(I)> | 26.5 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.7 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 0.2M magnesium chloride, 100 mM Tris-HCl, 30% PEG 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
