5OB9
X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-MIM), MIM=methyl-imidazole (crystals grown using ethylene glycol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-08 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 77.744, 77.744, 37.168 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.970 - 2.380 |
R-factor | 0.19365 |
Rwork | 0.188 |
R-free | 0.30833 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 193l |
RMSD bond length | 0.013 |
RMSD bond angle | 1.626 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.970 | 2.420 |
High resolution limit [Å] | 2.380 | 2.380 |
Rmerge | 0.099 | 0.691 |
Number of reflections | 4846 | |
<I/σ(I)> | 15.6 | 2.3 |
Completeness [%] | 98.1 | 97.9 |
Redundancy | 3.9 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 20% Ethylene gly-col, 0.1 M sodium acetate pH 4.0, 0.6 M sodium nitrate |