4Q3L
Crystal structure of MGS-M2, 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 | 2014-03-28 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 105.568, 139.134, 111.109 |
Unit cell angles | 90.00, 89.94, 90.00 |
Refinement procedure
Resolution | 31.669 - 3.010 |
R-factor | 0.2029 |
Rwork | 0.201 |
R-free | 0.25540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cr6 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.711 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: dev_1631)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.000 | 3.050 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.093 | 0.536 |
Number of reflections | 63183 | |
<I/σ(I)> | 17.08 | 3.66 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.6 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | protein treated with thermolysin in 1/10 molar ratio crystallization in: 0.1 M sodium Hepes, 1.4 M sodium citrate, cryoprotectant: 15% ethylene glycol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |