6ITQ
Crystal structure of cortisol complexed with its nanobody at pH 10.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.870, 48.816, 109.333 |
Unit cell angles | 90.00, 110.66, 90.00 |
Refinement procedure
Resolution | 43.917 - 1.526 |
R-factor | 0.2243 |
Rwork | 0.223 |
R-free | 0.25620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k1k |
RMSD bond length | 0.006 |
RMSD bond angle | 0.913 |
Data reduction software | XDS |
Data scaling software | Aimless (0.6.2) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.920 | 43.920 | 1.610 |
High resolution limit [Å] | 1.526 | 4.830 | 1.530 |
Rmerge | 0.208 | 0.156 | 0.852 |
Rmeas | 0.230 | 0.170 | 0.932 |
Rpim | 0.095 | 0.067 | 0.372 |
Number of reflections | 68100 | 2301 | 9886 |
<I/σ(I)> | 7.7 | ||
Completeness [%] | 96.7 | 98.7 | 96.9 |
Redundancy | 6.3 | 6.5 | 6.6 |
CC(1/2) | 0.916 | 0.968 | 0.699 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 10.5 | 293 | 2M Ammonium sulfate, 0.1M CAPS/Sodium hydroxide pH 10.5, 0.2M Lithium Sulfate |