5V4I
Osmium(II)(cymene)(chlorido)2-lysozyme adduct with one binding site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 80.594, 80.594, 36.987 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.500 |
R-factor | 0.2322 |
Rwork | 0.230 |
R-free | 0.27780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nhi |
RMSD bond length | 0.009 |
RMSD bond angle | 1.326 |
Data reduction software | XDS (Oct 15, 2015) |
Data scaling software | Aimless (0.5.25) |
Phasing software | PHASER (2.6.1) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 36.040 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.144 | 0.083 | 0.807 |
Rmeas | 0.152 | 0.089 | 0.861 |
Rpim | 0.050 | 0.031 | 0.292 |
Number of reflections | 20117 | 967 | |
<I/σ(I)> | 11 | ||
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 9.2 | 6.9 | 7.6 |
CC(1/2) | 0.996 | 0.994 | 0.775 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 294 | 100mg/mL hen egg white lysozyme, 0.8 M NaCl, 0.1 M sodium acetate pH 4.7 |