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 |