5L3O
Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer
This is a non-PDB format compatible entry.
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 | 2015-03-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 158.880, 54.480, 84.920 |
| Unit cell angles | 90.00, 112.79, 90.00 |
Refinement procedure
| Resolution | 78.290 - 1.980 |
| R-factor | 0.2081 |
| Rwork | 0.207 |
| R-free | 0.23570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.659 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.290 | 2.100 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.125 | 0.665 |
| Number of reflections | 46107 | |
| <I/σ(I)> | 7.9 | 1.9 |
| Completeness [%] | 98.1 | 92.5 |
| Redundancy | 4 | 4 |
| CC(1/2) | 0.994 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | NA acetate, PEG 4000, NaN3 |
