4XYY
Hen Egg-White Lysozyme (HEWL) complexed with Zr(IV)-substituted Keggin-type polyoxometalate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-09-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.8856 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 77.232, 77.232, 37.961 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.616 - 1.380 |
R-factor | 0.1629 |
Rwork | 0.162 |
R-free | 0.18370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 193l |
RMSD bond length | 0.013 |
RMSD bond angle | 2.040 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.620 | 1.430 |
High resolution limit [Å] | 1.380 | 1.380 |
Rmerge | 0.113 | 0.695 |
Number of reflections | 45045 | |
<I/σ(I)> | 10.2 | 2 |
Completeness [%] | 99.8 | 99.3 |
Redundancy | 7.6 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 289 | 0.1 M Sodium HEPES pH 7.5, 2.0 M Ammonium sulphate |