4HNK
Crystal structure of an Enzyme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-11 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 178.785, 105.853, 186.402 |
| Unit cell angles | 90.00, 118.10, 90.00 |
Refinement procedure
| Resolution | 45.542 - 2.900 |
| R-factor | 0.203 |
| Rwork | 0.202 |
| R-free | 0.24310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.126 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 7.860 | 2.900 |
| Rmerge | 0.075 | 0.032 | 0.764 |
| Number of reflections | 66514 | ||
| <I/σ(I)> | 10.5 | ||
| Completeness [%] | 96.7 | 96.2 | 87.8 |
| Redundancy | 3.3 | 3.3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 293 | 0.25 M CaAcetate, pH 8.6, 7.5% PEG20K and 7.5% PEG MME500, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
