9L31
Zn-Carbonic Anhydrase II complexed with 3NPA at 160 K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6D |
| Synchrotron site | PAL/PLS |
| Beamline | 6D |
| Temperature [K] | 160 |
| 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 | 41.948, 41.199, 72.246 |
| Unit cell angles | 90.00, 104.32, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.200 |
| R-factor | 0.14528 |
| Rwork | 0.144 |
| R-free | 0.17805 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.606 |
| 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 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.069 | 0.311 |
| Rmeas | 0.080 | 0.377 |
| Rpim | 0.041 | 0.211 |
| Number of reflections | 74716 | 3591 |
| <I/σ(I)> | 16.2 | 3.6 |
| Completeness [%] | 99.6 | 97.3 |
| Redundancy | 3.6 | 2.8 |
| CC(1/2) | 0.997 | 0.862 |
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 |
