3P4V
Human carbonic anhydrase II in complex with (+)-Xylariamide A
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 | 2010-03-05 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.953827 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.312, 41.298, 72.427 |
| Unit cell angles | 90.00, 104.89, 90.00 |
Refinement procedure
| Resolution | 24.681 - 2.000 |
| R-factor | 0.1641 |
| Rwork | 0.162 |
| R-free | 0.20470 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3hkn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.081 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX (1.6.4_486) |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 16550 | |
| Completeness [%] | 99.7 | 97 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 289 | 3.2M (NH4)2SO4, 0.1M Glycine, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
