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 |