3D0N
Crystal structure of human carbonic anhydrase XIII
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 | CCD |
| Collection date | 2007-06-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.999882 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.780, 58.210, 72.120 |
| Unit cell angles | 90.00, 92.36, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.550 |
| Rwork | 0.168 |
| R-free | 0.18800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ca2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 68200 | |
| <I/σ(I)> | 21.3 | 3.8 |
| Completeness [%] | 98.1 | 90.3 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 30% PEG 4000, 0.2 M ammonium acetate, 0.1 M sodium acetate pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
