7Y2L
apo-Carbonic Anhydrase II soaked in 3NPA after UV at 120 K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 6D |
Synchrotron site | PAL/PLS |
Beamline | 6D |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2020-10-16 |
Detector | RAYONIX MX225-HS |
Wavelength(s) | 0.97934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.084, 41.351, 72.330 |
Unit cell angles | 90.00, 104.44, 90.00 |
Refinement procedure
Resolution | 29.030 - 1.250 |
R-factor | 0.12193 |
Rwork | 0.120 |
R-free | 0.16385 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6luu |
RMSD bond length | 0.029 |
RMSD bond angle | 2.510 |
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 | 1.270 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.039 | 0.223 |
Rmeas | 0.046 | 0.259 |
Rpim | 0.023 | 0.131 |
Number of reflections | 63461 | 3020 |
<I/σ(I)> | 33.4 | 6.1 |
Completeness [%] | 94.9 | 90.9 |
Redundancy | 3.9 | 3.9 |
CC(1/2) | 0.996 | 0.957 |
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 |