4AOZ
B. subtilis dUTPase YncF in complex with dU, PPi and Mg (P212121)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-08 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.270, 71.534, 92.299 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.540 - 2.050 |
| R-factor | 0.16169 |
| Rwork | 0.159 |
| R-free | 0.21288 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xcd |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.612 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.130 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.100 | 0.300 |
| Number of reflections | 29682 | |
| <I/σ(I)> | 16.7 | 4.4 |
| Completeness [%] | 99.4 | 96.9 |
| Redundancy | 7.3 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 0.2M NACL, 0.1M NA ACETATE PH 5, 20% PEG 6K |
