3P3J
Human carbonic anhydrase II in complex with p-(5-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
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 | 2009-03-11 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.957 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.490, 41.620, 72.450 |
Unit cell angles | 90.00, 104.85, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.600 |
Rwork | 0.193 |
R-free | 0.20300 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3hkn |
RMSD bond length | 0.005 |
RMSD bond angle | 1.420 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.600 |
High resolution limit [Å] | 1.600 | 1.500 |
Number of reflections | 32158 | |
Completeness [%] | 99.1 | 94.6 |
Redundancy | 7.1 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 2.9M ammonium sulfate, 0.1M MES/NaOH, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |