4B0H
B. subtilis dUTPase YncF in complex with dU, PPi and Mg b (P212121)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-04-21 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.030, 71.310, 91.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.040 - 1.180 |
| R-factor | 0.11924 |
| Rwork | 0.117 |
| R-free | 0.16006 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4aoz |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.302 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.010 | 1.240 |
| High resolution limit [Å] | 1.180 | 1.180 |
| Rmerge | 0.150 | 1.330 |
| Number of reflections | 132942 | |
| <I/σ(I)> | 8.1 | 2.2 |
| Completeness [%] | 92.8 | 100 |
| Redundancy | 7.3 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 0.2 M LICL, 0.1 M NA ACETATE PH 5.0, 20 % (W/V) PEG6000 |
