4Q3K
Crystal structure of MGS-M1, an alpha/beta hydrolase enzyme from a Medee basin 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 | 2013-01-17 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 78.991, 82.716, 77.377 |
Unit cell angles | 90.00, 109.32, 90.00 |
Refinement procedure
Resolution | 28.296 - 1.570 |
R-factor | 0.1476 |
Rwork | 0.146 |
R-free | 0.18560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hxk |
RMSD bond length | 0.009 |
RMSD bond angle | 1.230 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: dev_1538)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.600 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmerge | 0.042 | 0.485 |
Number of reflections | 63876 | |
<I/σ(I)> | 30.19 | 2.09 |
Completeness [%] | 97.8 | 83 |
Redundancy | 2.8 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 20% potassium fluoride, 20% PEG3350. cryoprotectant:12% glycerol., pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |