6MBV
Carbonic Anhydrase II in complex with Nicotinic Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.977 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.078, 41.139, 71.761 |
| Unit cell angles | 90.00, 104.27, 90.00 |
Refinement procedure
| Resolution | 31.912 - 1.695 |
| R-factor | 0.1529 |
| Rwork | 0.152 |
| R-free | 0.17700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.091 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 31.910 | 31.910 | 1.730 |
| High resolution limit [Å] | 1.690 | 8.970 | 1.690 |
| Rmerge | 0.061 | 0.024 | 0.530 |
| Rmeas | 0.072 | 0.029 | 0.628 |
| Rpim | 0.038 | 0.015 | 0.333 |
| Total number of observations | 88423 | 659 | 4640 |
| Number of reflections | 26067 | 200 | 1359 |
| <I/σ(I)> | 13.7 | 42.1 | 2.3 |
| Completeness [%] | 97.9 | 98 | 96.4 |
| Redundancy | 3.4 | 3.3 | 3.4 |
| CC(1/2) | 0.999 | 0.999 | 0.743 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 1.6 M NaCitrate, 50 mM Tris |
