6ITP
Crystal structure of cortisol complexed with its nanobody at pH 3.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-12 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97930 |
Spacegroup name | P 21 3 |
Unit cell lengths | 95.043, 95.043, 95.043 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.603 - 1.572 |
R-factor | 0.1961 |
Rwork | 0.195 |
R-free | 0.22290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k1k |
RMSD bond length | 0.010 |
RMSD bond angle | 1.150 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.630 |
High resolution limit [Å] | 1.570 | 3.380 | 1.570 |
Rmerge | 0.080 | 0.040 | 0.650 |
Rmeas | 0.081 | 0.041 | 0.659 |
Rpim | 0.013 | 0.006 | 0.106 |
Total number of observations | 1584876 | ||
Number of reflections | 40074 | 4178 | 3911 |
<I/σ(I)> | 4.5 | ||
Completeness [%] | 99.8 | 99.9 | 98.3 |
Redundancy | 39.5 | 38.3 | 38.3 |
CC(1/2) | 1.000 | 0.968 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 293 | 0.1M Citric acid pH 3.5, 3M NaCl |