5YJE
Crystal structure of HIRA(644-1017)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2015-12-20 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 149.990, 86.800, 99.150 |
| Unit cell angles | 90.00, 102.49, 90.00 |
Refinement procedure
| Resolution | 19.806 - 2.450 |
| R-factor | 0.2041 |
| Rwork | 0.202 |
| R-free | 0.25620 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.026 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AutoSol |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.900 | 2.510 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.043 | 0.500 |
| Number of reflections | 89395 | |
| <I/σ(I)> | 19.4 | 2.86 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 3.48 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 293 | 0.12 M sodium citrate, 0.36-0.52 M ammonium sulfate, 0.02 M yttrium(III) chloride |
