4A5X
Structures of MITD1
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 | 2010-09-29 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.070, 74.160, 89.785 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.340 - 1.910 |
| R-factor | 0.2024 |
| Rwork | 0.201 |
| R-free | 0.22650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wfd |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.020 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.060 | 0.620 |
| Number of reflections | 17144 | |
| <I/σ(I)> | 22.5 | 3.2 |
| Completeness [%] | 97.6 | 94.6 |
| Redundancy | 7.3 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 29% PEG2000MME, 160 MM KSCN |
