5X3H
The Y81G mutant of the UNG crystal structure from Nitratifractor salsuginis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.99 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.414, 114.763, 55.536 |
Unit cell angles | 90.00, 91.42, 90.00 |
Refinement procedure
Resolution | 39.900 - 2.500 |
R-factor | 0.214 |
Rwork | 0.212 |
R-free | 0.26540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5x3g |
RMSD bond length | 0.006 |
RMSD bond angle | 1.001 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.079 | 0.263 |
Number of reflections | 16628 | 1623 |
<I/σ(I)> | 16.5 | 5.8 |
Completeness [%] | 99.2 | 98.5 |
Redundancy | 3.5 | 3.4 |
CC(1/2) | 0.920 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 10% PEG3350 ?0.1 M HEPES pH7.0 |