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 |