7Y2G
Zn-Carbonic Anhydrase II complexed with 3NPA after UV at 160 K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 6D |
Synchrotron site | PAL/PLS |
Beamline | 6D |
Temperature [K] | 160 |
Detector technology | CCD |
Collection date | 2019-12-02 |
Detector | RAYONIX MX225-HS |
Wavelength(s) | 0.97934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.302, 41.412, 72.260 |
Unit cell angles | 90.00, 104.34, 90.00 |
Refinement procedure
Resolution | 29.130 - 1.200 |
R-factor | 0.12084 |
Rwork | 0.119 |
R-free | 0.14857 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6luw |
RMSD bond length | 0.029 |
RMSD bond angle | 2.388 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC (5.8.0135) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.049 | 0.292 |
Rmeas | 0.057 | 0.351 |
Rpim | 0.029 | 0.191 |
Number of reflections | 72818 | 3471 |
<I/σ(I)> | 27.1 | 3.6 |
Completeness [%] | 95.9 | 91 |
Redundancy | 3.8 | 3.1 |
CC(1/2) | 0.995 | 0.884 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 1.3 M sodium citrate, 50 mM Tris-HCl |