3C0S
UVDE 3 metals
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-16 |
| Detector | MAR225 |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 |
| Unit cell lengths | 37.137, 47.562, 48.250 |
| Unit cell angles | 99.50, 111.39, 109.02 |
Refinement procedure
| Resolution | 33.410 - 1.800 |
| R-factor | 0.20543 |
| Rwork | 0.202 |
| R-free | 0.27497 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j6v |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.859 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.410 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.085 | 0.327 |
| Number of reflections | 24532 | |
| <I/σ(I)> | 5.2 | |
| Completeness [%] | 96.2 | 94.7 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 20mM Tris, 150mM NaCl, 1mM MnCl2, pH7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
