4HX0
Crystal structure of a putative nucleotidyltransferase (TM1012) from Thermotoga maritima at 1.87 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | KURCHATOV SNC BEAMLINE K4.4 |
| Synchrotron site | KURCHATOV SNC |
| Beamline | K4.4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-07 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.972 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 63.196, 52.722, 53.508 |
| Unit cell angles | 90.00, 105.05, 90.00 |
Refinement procedure
| Resolution | 12.000 - 1.870 |
| R-factor | 0.1758 |
| Rwork | 0.172 |
| R-free | 0.24459 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fcl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.457 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 11.860 | 1.940 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.029 | 0.105 |
| Number of reflections | 13662 | |
| <I/σ(I)> | 8.7 | |
| Completeness [%] | 97.0 | 95.4 |
| Redundancy | 3.18 | 2.72 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 5.5 | 293 | Crystallization by hanging drop with MPD as a precipitant, pH 5.5, EVAPORATION, temperature 293K |
