4LP6
Crystal Structure of Human Carbonic Anhydrase II in complex with a quinoline oligoamide foldamer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.873 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.960, 84.170, 76.700 |
| Unit cell angles | 90.00, 97.18, 90.00 |
Refinement procedure
| Resolution | 41.500 - 2.150 |
| R-factor | 0.1942 |
| Rwork | 0.191 |
| R-free | 0.25330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.801 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.640 | 2.280 | |
| High resolution limit [Å] | 2.150 | 6.390 | 2.150 |
| Rmerge | 0.062 | 0.030 | 0.837 |
| Number of reflections | 31709 | 1221 | 5017 |
| <I/σ(I)> | 18 | 49.91 | 2.21 |
| Completeness [%] | 99.6 | 97.6 | 98.2 |
| Redundancy | 6.3 | 5.8 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.15 | 293 | ZnAc, NaCac, PEG 8000, NaN3, pH 7.15, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
