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) |