7MW8
Crystal Structure Analysis of Xac Nucleotide Pyrophosphatase/Phosphodiesterase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.18076 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 130.420, 66.719, 134.961 |
Unit cell angles | 90.00, 116.25, 90.00 |
Refinement procedure
Resolution | 30.040 - 1.900 |
R-factor | 0.2458 |
Rwork | 0.243 |
R-free | 0.30300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gsu |
RMSD bond length | 0.013 |
RMSD bond angle | 1.679 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 121.042 | 38.990 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.074 | 0.596 | |
Rmeas | 0.160 | 0.089 | 0.725 |
Rpim | 0.089 | 0.048 | 0.407 |
Total number of observations | 449161 | 16701 | 56237 |
Number of reflections | 155855 | 5315 | 21238 |
<I/σ(I)> | 3.7 | 6.7 | 1.1 |
Completeness [%] | 95.0 | 98.3 | 89.1 |
Redundancy | 2.9 | 3.1 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | PEG 3350, Bis-Tris |