6UGP
Human Carbonic Anhydrase 2 complexed with SB4-206
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9775 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.386, 41.317, 72.058 |
| Unit cell angles | 90.00, 104.35, 90.00 |
Refinement procedure
| Resolution | 34.905 - 1.306 |
| R-factor | 0.1502 |
| Rwork | 0.149 |
| R-free | 0.16720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.072 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.905 | 34.900 | 1.330 |
| High resolution limit [Å] | 1.306 | 7.160 | 1.310 |
| Rmerge | 0.043 | 0.024 | 0.526 |
| Rmeas | 0.047 | 0.026 | 0.617 |
| Rpim | 0.018 | 0.010 | 0.312 |
| Total number of observations | 2436 | 7299 | |
| Number of reflections | 56977 | 390 | 2028 |
| <I/σ(I)> | 23 | 65.3 | 2 |
| Completeness [%] | 96.9 | 99 | 69.6 |
| Redundancy | 6.2 | 6.2 | 3.6 |
| CC(1/2) | 1.000 | 0.999 | 0.761 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.6 M sodium citrate, 50 mM Tris |
