3MC2
Crystal Structure of the Murine Inhibitor of Carbonic Anhydrase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 104 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-11-06 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.559, 136.928, 155.575 |
| Unit cell angles | 90.00, 90.11, 90.00 |
Refinement procedure
| Resolution | 19.000 - 2.400 |
| Rwork | 0.239 |
| R-free | 0.30100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.408 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (1.3.3) |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.073 | 0.298 |
| Number of reflections | 105646 | |
| <I/σ(I)> | 20.2 | 3.2 |
| Completeness [%] | 94.4 | 71.8 |
| Redundancy | 4.5 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 12% PEG 3350, pH 7.5, vapor diffusion, hanging drop, temperature 293K |
