6H6S
Sad phasing on nickel-substituted human carbonic anhydrase II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-02-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.48306 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.480, 41.180, 84.040 |
| Unit cell angles | 90.00, 109.25, 90.00 |
Refinement procedure
| Resolution | 45.340 - 1.450 |
| R-factor | 0.15243 |
| Rwork | 0.150 |
| R-free | 0.20365 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.901 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | autoSHARP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.340 | 1.540 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.044 | 0.290 |
| Number of reflections | 154486 | 22243 |
| <I/σ(I)> | 12.6 | |
| Completeness [%] | 93.8 | 83.7 |
| Redundancy | 3.1 | 2.4 |
| CC(1/2) | 0.999 | 0.930 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 100 mM HEPES, 2.9 M ammonium sulfate |
