5MII
Crystal structure of carboxyl esterase 2 (TmelEST2) from mycorrhizal fungus Tuber melanosporum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-09-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97623 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 157.931, 157.931, 231.410 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.198 - 2.372 |
| R-factor | 0.1967 |
| Rwork | 0.194 |
| R-free | 0.24490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.150 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.200 | 2.450 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Rmerge | 0.172 | 0.740 |
| Number of reflections | 68933 | |
| <I/σ(I)> | 11.8 | 2 |
| Completeness [%] | 99.4 | 94.3 |
| Redundancy | 18.3 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 18 mg/ml of purified protein in 25 mM Tris-HCl pH 8.0, 0.1M NaCl, 2% v/v Triton X-100) and 20% polyethylene glycol 3350 in 0.2 M KNO3 (pH 6.0) |
