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 |