8CC1
Crystal Structure of Anti-cortisol Fab in Complex with Prednisolone
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 | 79.604, 79.604, 252.583 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.100 - 2.000 |
R-factor | 0.1968 |
Rwork | 0.195 |
R-free | 0.23010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mhe |
RMSD bond length | 0.008 |
RMSD bond angle | 1.011 |
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] | 42.100 | 2.073 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.311 | 1.926 |
Number of reflections | 33018 | 3198 |
<I/σ(I)> | 9.3 | |
Completeness [%] | 99.9 | 99.97 |
Redundancy | 18.5 | |
CC(1/2) | 0.995 | 0.735 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 293.15 | PEG3350, Ammonium citrate |