5NG7
Novel epoxide hydrolases belonging to the alpha/beta hydrolases superfamily in metagenomes from hot environments
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-08-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 163.940, 46.220, 73.870 |
| Unit cell angles | 90.00, 106.94, 90.00 |
Refinement procedure
| Resolution | 39.510 - 1.390 |
| R-factor | 0.17413 |
| Rwork | 0.173 |
| R-free | 0.20373 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4inz |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.637 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.510 | 1.410 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Number of reflections | 104819 | 4187 |
| <I/σ(I)> | 15.6 | 1.2 |
| Completeness [%] | 98.2 | 79 |
| Redundancy | 3.2 | 2.5 |
| CC(1/2) | 0.483 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 291 | 200 mM Magnesium formate dehydrate, 100mM Sodium Hepes 7.5 20 % w/v PEG 3350 |
