4B7B
Eg5-3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 277 |
| Detector technology | CCD |
| Collection date | 2010-12-04 |
| Detector | ADSC CCD |
| Spacegroup name | P 65 |
| Unit cell lengths | 81.500, 81.500, 114.921 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.911 - 2.500 |
| R-factor | 0.1828 |
| Rwork | 0.179 |
| R-free | 0.25040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ii6 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.618 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.850 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.090 | 0.250 |
| Number of reflections | 11958 | |
| <I/σ(I)> | 18.7 | 7.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.2 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 0.02 M CACL2 DEHYDRATE, 0.02 M CADMIUM CHLORIDE HYDRATE, 0.02 M COBALT(II) CHLORIDE HEXAHYDRATE, 20% W/V PEG 3350, PH 5.6 |
