4XE1
Human carbonic anhydrase II in complex with 6-SULFAMOYL-SACCHARIN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-10 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.212, 41.680, 71.731 |
Unit cell angles | 90.00, 104.33, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
Rwork | 0.168 |
R-free | 0.21400 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1ca2 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.600 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.047 | 0.101 |
Number of reflections | 22414 | |
<I/σ(I)> | 21.2 | 7.4 |
Completeness [%] | 99.1 | 92.9 |
Redundancy | 3.8 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | AMMONIUM SULPHATE 2.6M, TRIS-HCL 0.1M, SODIUM CHLORIDE 0.3M, 4-HYDROXYMERCURYBENZOATE |