4AE0
Crystal structure of diphtheria toxin mutant CRM197
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-21 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 105.841, 91.388, 63.838 |
| Unit cell angles | 90.00, 91.71, 90.00 |
Refinement procedure
| Resolution | 41.335 - 1.996 |
| R-factor | 0.2112 |
| Rwork | 0.210 |
| R-free | 0.24110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sgk |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.961 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.620 |
| Number of reflections | 39541 | |
| <I/σ(I)> | 24 | 1.3 |
| Completeness [%] | 97.0 | 87.5 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 1.9 M AMMONIUM SULFATE, 100 MM BICINE [PH 9.0] |
