7F9G
Thrombocorticin in complex with Ca2+ and fucose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-09 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.520, 44.720, 108.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.428 - 1.331 |
R-factor | 0.1556 |
Rwork | 0.155 |
R-free | 0.16800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7f9f |
RMSD bond length | 0.005 |
RMSD bond angle | 0.925 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.350 | 1.410 |
High resolution limit [Å] | 1.330 | 1.330 |
Number of reflections | 47092 | 7406 |
<I/σ(I)> | 26.05 | |
Completeness [%] | 99.8 | |
Redundancy | 9.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | Sodium acetate, PEG 3350, PEG 400 |