7F9J
Thrombocorticin Q25K in complex with Ca2+
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) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.660, 44.880, 109.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.717 - 1.100 |
R-factor | 0.1853 |
Rwork | 0.185 |
R-free | 0.19690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7f91 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.934 |
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] | 38.940 | 1.170 |
High resolution limit [Å] | 1.100 | 1.100 |
Number of reflections | 83642 | 12959 |
<I/σ(I)> | 21.83 | |
Completeness [%] | 99.4 | |
Redundancy | 9.19 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | Sodium acetate, PEG 3350, PEG 400 |