3P58
Human Carbonic Anhydrase in complex with Benzyl (Methyl) Carbamodithoic Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-07-13 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.230, 41.125, 71.897 |
| Unit cell angles | 90.00, 104.39, 90.00 |
Refinement procedure
| Resolution | 23.761 - 1.490 |
| R-factor | 0.151 |
| Rwork | 0.150 |
| R-free | 0.17120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.532 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.6.3_467) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.540 |
| High resolution limit [Å] | 1.490 | 3.210 | 1.490 |
| Rmerge | 0.064 | 0.058 | 0.397 |
| Number of reflections | 38521 | ||
| <I/σ(I)> | 19.2 | ||
| Completeness [%] | 97.8 | 99.5 | 91.7 |
| Redundancy | 4.3 | 4.4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 1.6M Sodium Citrate. 50mM Tris-Cl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
