5DI5
beta1 t801 loop variant in P3221
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 123.460, 123.460, 47.830 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 53.460 - 2.280 |
| R-factor | 0.1784 |
| Rwork | 0.178 |
| R-free | 0.18750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | theoretical protein model |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.408 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 106.920 | 2.340 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.107 | 1.449 |
| Number of reflections | 19284 | |
| <I/σ(I)> | 15.3 | 1.8 |
| Completeness [%] | 99.5 | 98.6 |
| Redundancy | 11.1 | 11.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 290 | 10mg /ml protein solution mixed with equal volume of 0.2 M ammonium acetate, 0.1 M Bis Tris pH 5.5, 45% v/v MPD |
