5J8Z
Human carbonic anhydrase II in complex with ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-07-07 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.396, 41.390, 71.823 |
Unit cell angles | 90.00, 104.24, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.700 |
Rwork | 0.162 |
R-free | 0.19480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ca2 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.600 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.065 | 0.296 |
Number of reflections | 26271 | |
<I/σ(I)> | 16.1 | 2.7 |
Completeness [%] | 97.7 | 75.1 |
Redundancy | 4 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.15 | 1.3 M sodium citrate, 0.1 M TRIS-HCl |