Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-10 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.308, 87.130, 62.322 |
Unit cell angles | 90.00, 90.55, 90.00 |
Refinement procedure
Resolution | 62.320 - 1.880 |
R-factor | 0.17416 |
Rwork | 0.171 |
R-free | 0.23140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a6p |
RMSD bond length | 0.017 |
RMSD bond angle | 1.792 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.560 | 1.990 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.100 | 0.500 |
Number of reflections | 34773 | |
<I/σ(I)> | 10.44 | 2.61 |
Completeness [%] | 99.1 | 96.6 |
Redundancy | 3.51 | 3.47 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.8 | 60 MM NAPHOSPHATE PH 5.8, 15% PEG1000 |