6C7X
Carbonic anhydrase 2 in complex with 2-chloro-5'-O-sulfamoyladenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-29 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.950100 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.311, 41.425, 72.424 |
| Unit cell angles | 90.00, 104.51, 90.00 |
Refinement procedure
| Resolution | 41.400 - 1.500 |
| R-factor | 0.15533 |
| Rwork | 0.154 |
| R-free | 0.18757 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5eh5 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.814 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.400 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.087 | 0.805 |
| Rpim | 0.034 | 0.327 |
| Number of reflections | 38990 | 1821 |
| <I/σ(I)> | 18.2 | 2.5 |
| Completeness [%] | 99.7 | 94.3 |
| Redundancy | 7.3 | 6.8 |
| CC(1/2) | 0.999 | 0.731 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 281 | Protein was at 10 mg/mL and was set up in 250 plus 250 nL drops with a reservoir of 50 mM Tris pH 8.0, 2.8 M ammonium sulfate at 8C |
