5J8Z
Human carbonic anhydrase II in complex with ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-07 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.396, 41.390, 71.823 |
| Unit cell angles | 90.00, 104.24, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| Rwork | 0.162 |
| R-free | 0.19480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ca2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.065 | 0.296 |
| Number of reflections | 26271 | |
| <I/σ(I)> | 16.1 | 2.7 |
| Completeness [%] | 97.7 | 75.1 |
| Redundancy | 4 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.15 | 1.3 M sodium citrate, 0.1 M TRIS-HCl |
