5NZ2
Twist and induce: Dissecting the link between the enzymatic activity and the SaPI inducing capacity of the phage 80 dUTPase. D95E mutant from dUTPase 80alpha phage.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 87.192, 87.192, 87.192 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.990 - 2.850 |
| R-factor | 0.2307 |
| Rwork | 0.228 |
| R-free | 0.27753 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zez |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.990 | 3.000 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.102 | 0.394 |
| Number of reflections | 5130 | 740 |
| <I/σ(I)> | 5.2 | |
| Completeness [%] | 96.1 | 96.1 |
| Redundancy | 2.2 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 296 | 32% Etanol, 2% PEG 1000, 0.1M phosphate citrate pH 4.2 |
