7Y2H
Zn-Carbonic Anhydrase II complexed with 3NPA after UV at 180 K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 6D |
Synchrotron site | PAL/PLS |
Beamline | 6D |
Temperature [K] | 180 |
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 | 42.321, 41.434, 72.283 |
Unit cell angles | 90.00, 104.38, 90.00 |
Refinement procedure
Resolution | 29.140 - 1.200 |
R-factor | 0.12162 |
Rwork | 0.120 |
R-free | 0.14926 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6luw |
RMSD bond length | 0.029 |
RMSD bond angle | 2.387 |
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 | 0.339 |
Rmeas | 0.058 | 0.430 |
Rpim | 0.030 | 0.261 |
Number of reflections | 71723 | 2640 |
<I/σ(I)> | 25.7 | 2.2 |
Completeness [%] | 94.3 | 69.3 |
Redundancy | 3.7 | 2.1 |
CC(1/2) | 0.999 | 0.831 |
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 |