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 |