4Q3M
Crystal structure of MGS-M4, an aldo-keto reductase 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 | 2013-04-10 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 64 |
| Unit cell lengths | 172.469, 172.469, 113.055 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.579 - 2.552 |
| R-factor | 0.2087 |
| Rwork | 0.207 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fzi |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.745 |
| 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] | 25.000 | 2.590 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.119 | 0.718 |
| Number of reflections | 59489 | |
| <I/σ(I)> | 19.05 | 3.01 |
| Completeness [%] | 95.8 | 99.9 |
| Redundancy | 4.4 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M Tris, 0.2 M ammonium sulphate, 25% PEG3350, TEV protease in 1/20 molar ratio protein:TEV, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 8.5 |
