4CON
Crystal structure of the anaerobic ribonucleotide reductase from Thermotoga maritima with citrate in the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.550, 97.740, 86.580 |
| Unit cell angles | 90.00, 112.13, 90.00 |
Refinement procedure
| Resolution | 41.733 - 2.120 |
| R-factor | 0.1831 |
| Rwork | 0.182 |
| R-free | 0.21820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4coi |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.093 |
| 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] | 42.580 | 2.250 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rmerge | 0.060 | 0.540 |
| Number of reflections | 68379 | |
| <I/σ(I)> | 14.8 | 2.1 |
| Completeness [%] | 99.3 | 98 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 24 MG/ML, 13% (W/V) PEG3000, 100 MM CITRATE PH 5.3 AND 5 MM DTT. SOAKED IN 20% (V/V) PEG400. |
