8DPC
Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2021-06-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.158, 122.760, 78.670 |
| Unit cell angles | 90.00, 116.87, 90.00 |
Refinement procedure
| Resolution | 44.120 - 2.410 |
| R-factor | 0.1927 |
| Rwork | 0.190 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1koq |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.428 |
| Data reduction software | DENZO (722) |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP (11.9.02) |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 10.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
| Rmerge | 0.158 | 0.071 | 0.550 |
| Rmeas | 0.173 | 0.077 | 0.613 |
| Rpim | 0.068 | 0.030 | 0.265 |
| Total number of observations | 285624 | ||
| Number of reflections | 46572 | 4756 | 4532 |
| <I/σ(I)> | 5.1 | ||
| Completeness [%] | 99.7 | 100 | 97.7 |
| Redundancy | 6.1 | 6.5 | 4.6 |
| CC(1/2) | 0.995 | 0.848 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298.15 | 0.2 M NH4H2PO4, 2. 2.2 M (NH4)2SO4 |
