4COM
Crystal structure of the anaerobic ribonucleotide reductase from Thermotoga maritima with MES in the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-27 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.590, 96.030, 89.600 |
| Unit cell angles | 90.00, 112.66, 90.00 |
Refinement procedure
| Resolution | 29.399 - 1.920 |
| R-factor | 0.1542 |
| Rwork | 0.153 |
| R-free | 0.18220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ETRY 4COI |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.477 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.400 | 2.000 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.060 | 0.480 |
| Number of reflections | 100224 | |
| <I/σ(I)> | 19.8 | 3.2 |
| Completeness [%] | 98.8 | 94.5 |
| Redundancy | 7.2 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
