4Q49
Room temperature neutron crystal structure of apo human carbonic anhydrase at pH 7.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | NUCLEAR REACTOR |
| Source details | FRM II BEAMLINE BIODIFF |
| Synchrotron site | FRM II |
| Beamline | BIODIFF |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-04-01 |
| Detector | MAATEL BIODIFF |
| Wavelength(s) | 2.66 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.780, 41.710, 72.820 |
| Unit cell angles | 90.00, 104.49, 90.00 |
Refinement procedure
| Resolution | 19.998 - 1.800 |
| R-factor | 0.1902 |
| Rwork | 0.187 |
| R-free | 0.21540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gz0 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.062 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 20884 | |
| Completeness [%] | 89.9 | 76.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.20 M sodium citrate 100 mM Tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
