4COL
Crystal structure of the anaerobic ribonucleotide reductase from Thermotoga maritima with dATP bound in the specificity 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 | 2013-05-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.000, 94.120, 86.710 |
| Unit cell angles | 90.00, 112.03, 90.00 |
Refinement procedure
| Resolution | 29.136 - 1.960 |
| R-factor | 0.192 |
| Rwork | 0.191 |
| R-free | 0.22550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4coi |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.027 |
| 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] | 29.100 | 2.080 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.080 | 0.630 |
| Number of reflections | 82717 | |
| <I/σ(I)> | 14.8 | 2.1 |
| Completeness [%] | 99.1 | 98.7 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | A NATIVE CRYSTAL (20 MG/ML, 12% [W/V] PEG3000, 100 MM MES PH 5.9, 5 MM DTT) SOAKED WITH 0.5 MM DATP, 10 MM MGCL2 AND 20% (V/V) PEG400 |
