4COJ
Crystal structure of the anaerobic ribonucleotide reductase from Thermotoga maritima in complex with dATP and CTP
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 | 2013-03-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.983, 94.509, 87.068 |
| Unit cell angles | 90.00, 112.09, 90.00 |
Refinement procedure
| Resolution | 29.140 - 2.480 |
| R-factor | 0.2047 |
| Rwork | 0.204 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.786 |
| 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 | 2.560 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Rmerge | 0.120 | 0.720 |
| Number of reflections | 44053 | |
| <I/σ(I)> | 12 | 2 |
| Completeness [%] | 98.8 | 95.5 |
| Redundancy | 4.2 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | A NATIVE CRYSTAL (20 MG/ML, 16% [W/V] PEG3000, 100 MM MES PH 6.1, 5 MM DTT) SOAKED WITH 0.5 MM DATP, 2 MM CTP, 10 MM MGCL2 AND 20% (V/V) PEG400. |
