1OQ5
CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 103 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-11-26 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.010, 41.070, 71.930 |
| Unit cell angles | 90.00, 104.20, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.500 |
| R-factor | 0.1291 |
| Rwork | 0.129 |
| R-free | 0.18400 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cil |
| RMSD bond length | 0.009 |
| RMSD bond angle | 2.100 * |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.093 * | 0.311 * |
| Total number of observations | 123343 * | |
| Number of reflections | 35103 | |
| <I/σ(I)> | 18.8 | 2.8 |
| Completeness [%] | 91.5 | 37 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 4 * | Tris-HCl, NaCl, ammonium sulfate, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 5 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 2.5 (M) | |
| 3 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.2 |
| 4 | 1 | reservoir | 0.3 (M) |
