9LDO
Zn-Carbonic Anhydrase II soaked with 3NT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-14 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.983, 41.137, 72.435 |
| Unit cell angles | 90.00, 104.30, 90.00 |
Refinement procedure
| Resolution | 28.943 - 1.142 |
| Rwork | 0.150 |
| R-free | 0.17120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.088 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.8.0430) |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.160 |
| High resolution limit [Å] | 1.140 | 1.140 |
| Rmerge | 0.083 | 0.540 |
| Rmeas | 0.090 | 0.597 |
| Rpim | 0.034 | 0.250 |
| Number of reflections | 83342 | 4008 |
| <I/σ(I)> | 27.6 | 3.4 |
| Completeness [%] | 95.9 | 93.5 |
| Redundancy | 6.4 | 5.3 |
| CC(1/2) | 0.991 | 0.867 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 1.3 M sodium citrate, 50 mM Tris-HCl |
