4AOO
B. subtilis dUTPase YncF in complex with dU PPi and Mg in H32
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 | 2011-04-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 146.628, 146.628, 144.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 95.470 - 2.300 |
| R-factor | 0.16553 |
| Rwork | 0.163 |
| R-free | 0.21861 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xcd |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.863 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.130 | 0.750 |
| Number of reflections | 26728 | |
| <I/σ(I)> | 22.64 | 3.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.3 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 30% MPD, 0.1 M SODIUM CACODYLATE PH 6.5, 0.2 M MAGNESIUM ACETATE |
