3RYJ
Carbonic Anhydrase complexed with 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.554, 41.718, 72.338 |
| Unit cell angles | 90.00, 104.20, 90.00 |
Refinement procedure
| Resolution | 23.380 - 1.390 |
| R-factor | 0.13268 |
| Rwork | 0.131 |
| R-free | 0.17017 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.063 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 1.390 |
| Number of reflections | 44012 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | 100 mM Tris-Cl, 1.14 M sodium citrate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
