3QH4
Crystal structure of esterase LipW from Mycobacterium marinum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-23 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 73.270, 86.990, 46.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.750 |
| R-factor | 0.1466 |
| Rwork | 0.144 |
| R-free | 0.18770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lzk |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.400 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 | |
| High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
| Rmerge | 0.038 | 0.029 | 0.073 |
| Number of reflections | 30172 | 392 | 2101 |
| <I/σ(I)> | 21.76 | 35.69 | 9.13 |
| Completeness [%] | 98.9 | 97.3 | 95 |
| Redundancy | 3.2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | protein at 55.6 mg/mL, 0.2 M MgCl2, 0.1 M Tris, 20 % PEG 6000, cryo-protected with 25 % ethylene glycol, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289 K |
