5AUN
Crystal structure of the HypAB-Ni complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-13 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.1000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 74.720, 82.744, 65.128 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.360 - 1.630 |
| R-factor | 0.1821 |
| Rwork | 0.180 |
| R-free | 0.21310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3A43 and 3VX3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.907 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
| High resolution limit [Å] | 1.630 | 4.420 | 1.630 |
| Rmerge | 0.085 | 0.050 | |
| Rmeas | 0.090 | 0.054 | |
| Rpim | 0.038 | 0.021 | 0.531 |
| Total number of observations | 316919 | ||
| Number of reflections | 101768 | ||
| <I/σ(I)> | 6.1 | ||
| Completeness [%] | 99.8 | 99.9 | 97.5 |
| Redundancy | 6.2 | 6.5 | 4.5 |
| CC(1/2) | 0.997 | 0.504 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.2 | 293 | Magnesium chloride, PEG3350 |
