5A62
Hydrolytic potential of the ammonia-oxidizing Thaumarchaeon Nitrososphaera gargenis - crystal structure and activity profiles of carboxylesterases linked to their metabolic function
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-23 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 50.947, 65.461, 84.591 |
| Unit cell angles | 90.00, 104.17, 90.00 |
Refinement procedure
| Resolution | 51.160 - 1.500 |
| R-factor | 0.14269 |
| Rwork | 0.142 |
| R-free | 0.16309 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a88 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.978 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.200 | 1.600 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.030 | 0.170 |
| Number of reflections | 42828 | |
| <I/σ(I)> | 7.3 | 21.2 |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 3.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2 M MAGNESIUM ACETATE, 20% PEG 3350, pH 7.5 |
