5BSX
Crystal structure of GII.10 P domain in complex with disinfectant Puregreen24
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-11-04 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.984463 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.280, 80.360, 70.150 |
Unit cell angles | 90.00, 101.42, 90.00 |
Refinement procedure
Resolution | 43.827 - 1.780 |
R-factor | 0.173 |
Rwork | 0.172 |
R-free | 0.19520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3onu |
RMSD bond length | 0.006 |
RMSD bond angle | 1.068 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.830 | 1.830 | |
High resolution limit [Å] | 1.780 | 7.960 | 1.780 |
Rmerge | 0.047 | 0.014 | 0.385 |
Rmeas | 0.058 | 0.017 | 0.476 |
Total number of observations | 179176 | ||
Number of reflections | 65886 | 751 | 4803 |
<I/σ(I)> | 14.87 | 44.35 | 2.66 |
Completeness [%] | 96.7 | 93.1 | 95.8 |
Redundancy | 2.7 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | sodium nitrate, bis-tris propane, PEG3350 |