6AII
Catalytic domain of PdAgaC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-01-26 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 76.779, 76.779, 166.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.340 - 1.630 |
| R-factor | 0.17481 |
| Rwork | 0.174 |
| R-free | 0.19777 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4asm |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.846 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.340 | 1.690 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.057 | 0.366 |
| Number of reflections | 62074 | |
| <I/σ(I)> | 14.3 | 2.4 |
| Completeness [%] | 98.9 | 89.4 |
| Redundancy | 7.39 | 2.41 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 14% PEG 20,000, 0.1 M sodium HEPES pH 7.0 |
