4ZWX
Engineered Carbonic Anhydrase IX mimic in complex with glucosyl sulfamate inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-03-15 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.838, 41.282, 71.505 |
Unit cell angles | 90.00, 103.53, 90.00 |
Refinement procedure
Resolution | 19.787 - 1.696 |
R-factor | 0.1761 |
Rwork | 0.174 |
R-free | 0.21210 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.698 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10pre_2097: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.787 | 20.000 | 1.730 |
High resolution limit [Å] | 1.696 | 4.600 | 1.700 |
Rmerge | 0.057 | 0.030 | 0.573 |
Rmeas | 0.067 | 0.035 | 0.662 |
Rpim | 0.034 | 0.017 | 0.327 |
Total number of observations | 91156 | ||
Number of reflections | 36753 | ||
<I/σ(I)> | 9.5 | ||
Completeness [%] | 93.6 | 97.8 | 93.7 |
Redundancy | 3.7 | 3.9 | 3.9 |
CC(1/2) | 0.997 | 0.732 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 1.6 M sodium citrate, 50 mM Tris-HCL, pH 7.8 |