6RM1
Human Carbonic Anhydrase II in complex with fragment.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-21 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.452, 41.466, 71.988 |
| Unit cell angles | 90.00, 104.66, 90.00 |
Refinement procedure
| Resolution | 35.629 - 1.680 |
| R-factor | 0.1542 |
| Rwork | 0.153 |
| R-free | 0.18060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.466 | 1.780 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Number of reflections | 27053 | 4228 |
| <I/σ(I)> | 19.12 | 12.06 |
| Completeness [%] | 96.8 | 94.5 |
| Redundancy | 3.81 | 3.57 |
| CC(1/2) | 0.997 | 0.992 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | Ammonium sulfate 2.7 M, TRIS 0.1 M, pH = 7.8, saturated with para-Chloromercuribenzoic acid |
