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 |