4Q3O
Crystal structure of MGS-MT1, an alpha/beta hydrolase enzyme from a Lake Matapan deep-sea metagenome library
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-06-10 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 189.454, 131.397, 112.441 |
Unit cell angles | 90.00, 103.55, 90.00 |
Refinement procedure
Resolution | 19.720 - 1.740 |
R-factor | 0.1472 |
Rwork | 0.145 |
R-free | 0.18520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fak |
RMSD bond length | 0.015 |
RMSD bond angle | 1.482 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.9pre_1669)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.720 | 1.830 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.056 | 0.392 |
Number of reflections | 272067 | |
<I/σ(I)> | 21.3 | 2.2 |
Redundancy | 3 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.1M MES, 20% PEG10K. Cryroprotectant: 12% Glycerol then paraton-N oil, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |