2Z2C
MURA inhibited by unag-cnicin adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.03317 |
| Spacegroup name | P 1 |
| Unit cell lengths | 65.127, 80.369, 84.871 |
| Unit cell angles | 108.69, 111.07, 101.17 |
Refinement procedure
| Resolution | 19.140 - 2.050 |
| R-factor | 0.19487 |
| Rwork | 0.191 |
| R-free | 0.27068 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uae |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.710 |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.140 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.071 | 0.295 |
| Number of reflections | 84171 | |
| <I/σ(I)> | 7.5 | 2.7 |
| Completeness [%] | 93.8 | 93.2 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | 15% PEG 4000, 100mM TRIS, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
