4Y0J
H/D exchanged human carbonic anhydrase II pH 6 room temperature neutron crystal structure.
Experimental procedure
| Experimental method | LAUE |
| Source type | NUCLEAR REACTOR |
| Source details | LANSCE BEAMLINE PCS |
| Synchrotron site | LANSCE |
| Beamline | PCS |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2012-11-01 |
| Detector | 3He-position sensitive detector. |
| Wavelength(s) | 0.7 - 6.5 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.750, 41.680, 72.950 |
| Unit cell angles | 90.00, 104.67, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| Rwork | 0.263 |
| R-free | 0.29100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tbt |
| Data reduction software | d*TREK |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.228 | 0.382 |
| Number of reflections | 13799 | |
| <I/σ(I)> | 4.5 | 1.5 |
| Completeness [%] | 82.0 | 70 |
| Redundancy | 2.7 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | Large drops 500 microliters in 9-well glass plate in sandwich box set-up. Crystals took 3 months to grow to maximal size. |
