5LVI
Hen Egg White Lysozyme co-crystallized with [HIsq][trans-RuCl4(DMSO)(Isq)]
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2015-05-06 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 77.482, 77.482, 37.159 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.800 - 1.700 |
R-factor | 0.1653 |
Rwork | 0.163 |
R-free | 0.21730 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.812 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless (0.2.8) |
Phasing software | PHASER (2.5.5) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 15.080 | 15.080 | 1.520 |
High resolution limit [Å] | 1.490 | 8.050 | 1.490 |
Rmerge | 0.158 | 0.030 | 0.410 |
Rmeas | 0.175 | ||
Rpim | 0.071 | ||
Total number of observations | 112526 | ||
Number of reflections | 18827 | ||
<I/σ(I)> | 10 | ||
Completeness [%] | 99.6 | 84.3 | 94.9 |
Redundancy | 6 | 6.6 | 4.1 |
CC(1/2) | 0.994 | 0.999 | 0.142 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 0.8 M NaCl, 50 mM sodium acetate |