3KKX
Neutron structure of human carbonic anhydrase II
Experimental procedure
| Experimental method | LAUE |
| Source type | NUCLEAR REACTOR |
| Source details | OTHER |
| Temperature [K] | 293 |
| Collection date | 2008-10-15 |
| Detector | He3-filled neutron detector |
| Wavelength(s) | 0.6-0.7 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.600, 41.560, 72.820 |
| Unit cell angles | 90.00, 104.56, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| Rwork | 0.275 |
| R-free | 0.28600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ili |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.800 |
| Data reduction software | d*TREK |
| Data scaling software | SCALA |
| Phasing software | nCNS |
| Refinement software | nCNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 14136 | |
| <I/σ(I)> | 3.8 | 1.6 |
| Completeness [%] | 84.6 | 72.8 |
| Redundancy | 3 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9 | 293 | 1.15 M sodium citrate, 100 mM Tris pH 9, VAPOR DIFFUSION, temperature 293K |
