5AG2
SOD-3 azide complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 82.060, 82.060, 137.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.580 - 1.770 |
| R-factor | 0.18614 |
| Rwork | 0.185 |
| R-free | 0.21573 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dc5 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.363 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.380 | 1.860 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.090 | 0.520 |
| Number of reflections | 46922 | |
| <I/σ(I)> | 16.7 | 4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.9 | 13.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 2.8M AMMONIUM SULPHATE, 0.1M BICINE PH 9.0 |
