6PDV
Cu-Carbonic Anhydrase II, A Nitrite Reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.230, 42.400, 72.010 |
Unit cell angles | 90.00, 104.25, 90.00 |
Refinement procedure
Resolution | 36.237 - 1.230 |
R-factor | 0.1571 |
Rwork | 0.157 |
R-free | 0.17450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ks3 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.240 | 36.240 | 1.200 |
High resolution limit [Å] | 1.180 | 6.370 | 1.180 |
Rmerge | 0.088 | 0.062 | 0.738 |
Rmeas | 0.096 | 0.068 | 0.924 |
Rpim | 0.038 | 0.027 | 0.544 |
Total number of observations | 391230 | 3394 | 5219 |
Number of reflections | 50399 | 554 | 2009 |
<I/σ(I)> | 11.5 | 23 | 0.9 |
Completeness [%] | 95.0 | 99.5 | 50.1 |
Redundancy | 5.2 | 6.1 | 2.6 |
CC(1/2) | 0.998 | 0.996 | 0.577 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 1.6M NaCitrate, 50mM Tris |