2FOY
Human Carbonic Anhydrase I complexed with a two-prong inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-17 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9777 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.219, 72.608, 121.949 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.000 - 1.550 |
| R-factor | 0.2198 |
| Rwork | 0.220 |
| R-free | 0.24290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hcb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.072 | 0.575 |
| Number of reflections | 80682 | |
| <I/σ(I)> | 23.2 | 2.05 |
| Completeness [%] | 98.2 | 87 |
| Redundancy | 5.5 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 277 | Tris-sulfate, MES, PEG 3350, NaCl, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
