2XU8
Structure of Pa1645
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-02 |
| Detector | ADSC CCD |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 125.970, 125.970, 125.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 89.070 - 1.980 |
| R-factor | 0.17705 |
| Rwork | 0.176 |
| R-free | 0.19226 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.206 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.000 | 2.030 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.090 | 0.750 |
| Number of reflections | 35545 | |
| <I/σ(I)> | 56.5 | 9 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 73 | 74 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | pH 4.5 |
