6R8P
Notum fragment 723
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.615, 72.791, 78.867 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.490 - 1.450 |
| R-factor | 0.1985 |
| Rwork | 0.197 |
| R-free | 0.22670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.15_3459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.070 | |
| Rmeas | 0.076 | |
| Rpim | 0.030 | |
| Number of reflections | 62462 | 6100 |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 99.0 | 98.7 |
| Redundancy | 6.3 | 5.5 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 300 | 1.5M Ammonium sulfate 0.1 M Sodium citrate pH4.2 |
