3ZP9
Human Carbonic Anhydrase II as a Scaffold for an Artificial Transfer Hydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-13 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.500, 41.620, 72.480 |
| Unit cell angles | 90.00, 103.80, 90.00 |
Refinement procedure
| Resolution | 40.011 - 1.310 |
| R-factor | 0.1693 |
| Rwork | 0.168 |
| R-free | 0.19320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pyk |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.790 |
| Data reduction software | XDS |
| Data scaling software | XSCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.010 | 1.380 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Rmerge | 0.080 | 1.260 |
| Number of reflections | 49267 | |
| <I/σ(I)> | 9.3 | 1.26 |
| Completeness [%] | 82.9 | 43.2 |
| Redundancy | 3.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 293 | 2.1 M AMSO4, 50 MM TRIS-SO4, 0.2 MM 4-CHLOROMERCURIBENZOIC ACID, 4 MG/ML PROTEIN, PH 7.9, 293 K |
