3P5A
Human Carbonic Anhydrase complexed with Sodium morpholinocarbodithioate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-07-14 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.262, 41.210, 72.151 |
| Unit cell angles | 90.00, 104.21, 90.00 |
Refinement procedure
| Resolution | 25.315 - 1.490 |
| R-factor | 0.1493 |
| Rwork | 0.148 |
| R-free | 0.16910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.488 |
| 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 | 0.062 | 0.181 |
| Number of reflections | 39395 | ||
| <I/σ(I)> | 32.3 | ||
| Completeness [%] | 99.4 | 99.2 | 95.7 |
| Redundancy | 3.7 | 3.9 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 1.6M Sodium Citrate, 50 mM Tris-Cl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
