3QE8
Crystal Structure Analysis of Lysozyme-bound fac-[Re(CO)3(H2O)(Im)]+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.896, 77.996, 80.081 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.870 - 1.490 |
| R-factor | 0.197 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iee |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.030 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.874 | 1.580 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.005 | 0.443 |
| Number of reflections | 57107 | |
| <I/σ(I)> | 16.76 | 3.28 |
| Completeness [%] | 93.8 | 77.2 |
| Redundancy | 4.06 | 3.84 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.54 | 298 | 0.05M acetate buffer pH 4.54, 0.9M NaCl, temperature 298K, VAPOR DIFFUSION, HANGING DROP |
