3WTD
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 | 91.948, 91.948, 153.162 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.974 - 2.350 |
| R-factor | 0.1952 |
| Rwork | 0.193 |
| R-free | 0.22940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.131 |
| 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] | 55.200 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Number of reflections | 16230 | |
| <I/σ(I)> | 24.3 | 4.4 |
| Completeness [%] | 98.5 | 99.3 |
| Redundancy | 9.6 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 1.5M ammonium sulfate, 12%(v/v) glycerol, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
