8CBZ
Crystal Structure of Anti-cortisol Fab in Complex with Corticosterone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-04 |
Detector | DECTRIS PILATUS3 X 2M |
Wavelength(s) | 0.873128 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 79.048, 79.048, 251.187 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.860 - 1.860 |
R-factor | 0.2042 |
Rwork | 0.204 |
R-free | 0.21260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mhe |
RMSD bond length | 0.008 |
RMSD bond angle | 1.191 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER (1.19.2_4158) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.280 | 1.930 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.136 | 1.437 |
Number of reflections | 39905 | 3897 |
<I/σ(I)> | 20.4 | |
Completeness [%] | 99.9 | |
Redundancy | 35.4 | |
CC(1/2) | 0.999 | 0.805 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 288.15 | PEG3350, Ammonium citrate |