3WTF
Structure of PAXX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-05-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 89.576, 89.576, 151.404 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.470 - 3.451 |
| R-factor | 0.2385 |
| Rwork | 0.235 |
| R-free | 0.26760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wtd |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.642 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9pre_1665)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.470 | 3.780 |
| High resolution limit [Å] | 3.450 | 3.450 |
| Number of reflections | 4986 | |
| <I/σ(I)> | 9.1 | 1.7 |
| Completeness [%] | 97.3 | 98.2 |
| Redundancy | 6.1 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 1M sodium malonate, 1% (v/v) 1,4-Dioxane, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
