6PEA
High Resolution Apo Carbonic Anhydrase II
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 | 2019-01-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.289, 41.305, 72.039 |
| Unit cell angles | 90.00, 104.18, 90.00 |
Refinement procedure
| Resolution | 39.870 - 1.360 |
| R-factor | 0.1492 |
| Rwork | 0.148 |
| R-free | 0.16430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.295 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.870 | 39.870 | 1.380 |
| High resolution limit [Å] | 1.360 | 7.420 | 1.360 |
| Rmerge | 0.022 | 0.012 | 0.183 |
| Rmeas | 0.026 | 0.015 | 0.233 |
| Rpim | 0.014 | 0.008 | 0.141 |
| Total number of observations | 163103 | 1176 | 3784 |
| Number of reflections | 49512 | 352 | 1578 |
| <I/σ(I)> | 20 | 41.7 | 3.7 |
| Completeness [%] | 94.5 | 99 | 61 |
| Redundancy | 3.3 | 3.3 | 2.4 |
| CC(1/2) | 1.000 | 1.000 | 0.938 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 1.6M NaCitrate, 50mM Tris |
