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 |