5CJF
The crystal structure of the human carbonic anhydrase XIV in complex with a 1,1'-biphenyl-4-sulfonamide inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-02 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 88.495, 88.495, 108.736 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.830 |
| R-factor | 0.196 |
| Rwork | 0.197 |
| R-free | 0.21600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4lu3 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.069 | 0.621 |
| Number of reflections | 38776 | |
| <I/σ(I)> | 24.7 | 2.9 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 9.2 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 1.9 M ammonium sulfate, 0.1 M TRIS-HCl |
