5JN7
Carbonic Anhydrase II In Complex WITH U-CH3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.978 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.308, 41.378, 72.036 |
Unit cell angles | 90.00, 104.12, 90.00 |
Refinement procedure
Resolution | 29.134 - 1.517 |
R-factor | 0.1666 |
Rwork | 0.165 |
R-free | 0.18920 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.388 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.550 |
High resolution limit [Å] | 1.520 | 4.130 | 1.520 |
Rmerge | 0.069 | 0.055 | 0.489 |
Rmeas | 0.075 | 0.059 | 0.533 |
Rpim | 0.027 | 0.022 | 0.208 |
Total number of observations | 257545 | ||
Number of reflections | 34770 | ||
<I/σ(I)> | 8.8 | ||
Completeness [%] | 92.2 | 98.4 | 57.8 |
Redundancy | 7.4 | 7.3 | 6 |
CC(1/2) | 0.998 | 0.896 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.6 M Na-Citrate, 50 mM Tris, pH 7.8 |