5DVX
Crystal structure of the catalytic-domain of human carbonic anhydrase IX at 1.6 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-12 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9177 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.877, 102.744, 108.964 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.835 - 1.598 |
| R-factor | 0.1683 |
| Rwork | 0.168 |
| R-free | 0.19130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3iai |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.151 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (dev_1839) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 4.330 | 1.600 |
| Rmerge | 0.100 | 0.069 | 0.565 |
| Rmeas | 0.108 | 0.074 | 0.612 |
| Rpim | 0.040 | 0.028 | 0.233 |
| Total number of observations | 622633 | ||
| Number of reflections | 86682 | ||
| <I/σ(I)> | 5.9 | ||
| Completeness [%] | 99.9 | 99.4 | 99.3 |
| Redundancy | 7.2 | 6.8 | 6.7 |
| CC(1/2) | 0.994 | 0.893 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.1 M Tris HCl, pH 8.5, 8% (w/v) PEG 8000 |
