5T74
Human carboanhydrase F131C_C206S double mutant in complex with 14
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-03-07 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.380, 41.380, 72.020 |
| Unit cell angles | 90.00, 104.09, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.200 |
| R-factor | 0.15522 |
| Rwork | 0.149 |
| R-free | 0.16852 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vva |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.289 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.300 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.063 | 0.222 |
| Number of reflections | 73965 | |
| <I/σ(I)> | 11.2 | 5.3 |
| Completeness [%] | 97.4 | 96.9 |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 3 M (NH4)2SO4, 50 mM Tris-HCl |
