9L33
Zn-Carbonic Anhydrase II complexed with 3NPA at 200 K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6D |
| Synchrotron site | PAL/PLS |
| Beamline | 6D |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2019-07-19 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.083, 41.418, 72.210 |
| Unit cell angles | 90.00, 104.32, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.350 |
| R-factor | 0.1361 |
| Rwork | 0.134 |
| R-free | 0.17637 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.445 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.8.0135) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.390 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.159 | 0.349 |
| Rmeas | 0.186 | 0.410 |
| Rpim | 0.096 | 0.213 |
| Number of reflections | 53079 | 3770 |
| <I/σ(I)> | 18 | 3.5 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 3.6 | 3.5 |
| CC(1/2) | 0.955 | 0.850 |
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 |
