6LUX
Zn- Carbonic Anhydrase II pH 7.8 20 atm CO2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-12-17 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.369, 41.442, 72.133 |
Unit cell angles | 90.00, 104.05, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.200 |
Rwork | 0.113 |
R-free | 0.14180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5yuk |
RMSD bond length | 0.028 |
RMSD bond angle | 2.423 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC (5.8.0124) |
Refinement software | REFMAC (5.8.0124 2015/06/02) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.068 | 0.669 |
Rmeas | 0.073 | 0.720 |
Rpim | 0.027 | 0.263 |
Number of reflections | 73208 | 3522 |
<I/σ(I)> | 29.8 | 3.6 |
Completeness [%] | 96.2 | 92.9 |
Redundancy | 7.4 | 7.3 |
CC(1/2) | 0.998 | 0.856 |
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 |