Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-01-14 |
| Detector | RIGAKU |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 68.920, 108.088, 43.883 |
| Unit cell angles | 90.00, 115.11, 90.00 |
Refinement procedure
| Resolution | 27.020 - 1.650 |
| R-factor | 0.176 |
| Rwork | 0.174 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1CMI B |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.790 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 3.555 | 1.650 |
| Rmerge | 0.025 | 0.022 | 0.060 |
| Number of reflections | 31482 | 3355 | 2117 |
| <I/σ(I)> | 47.5 | ||
| Completeness [%] | 90.4 | 95.3 | 60.7 |
| Redundancy | 2.78 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 298 | 18% PEG3350, 0.2M di-ammonium citrate pH 4.8 |
