8CBY
Crystal Structure of Anti-cortisol Fab in Complex with Cortisol
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 | 79.937, 79.937, 253.453 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.240 - 2.270 |
R-factor | 0.2036 |
Rwork | 0.202 |
R-free | 0.23030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mhe |
RMSD bond length | 0.009 |
RMSD bond angle | 1.161 |
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] | 42.240 | 2.355 |
High resolution limit [Å] | 2.270 | 2.270 |
Rmerge | 0.175 | 1.410 |
Number of reflections | 22992 | 2207 |
<I/σ(I)> | 13.4 | |
Completeness [%] | 99.7 | |
Redundancy | 32.6 | |
CC(1/2) | 0.999 | 0.819 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 293.15 | PEG3350, Ammonium citrate |