8P6Q
Racemic structure of TNFR1 cysteine-rich domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-24 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.6767 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 20.420, 50.490, 46.210 |
Unit cell angles | 90.00, 92.94, 90.00 |
Refinement procedure
Resolution | 34.060 - 1.400 |
R-factor | 0.20274 |
Rwork | 0.200 |
R-free | 0.25144 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.662 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.060 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 18553 | 898 |
<I/σ(I)> | 11.3 | 1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.01 | |
CC(1/2) | 0.999 | 0.785 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | 250 nL of DL-TNFR-1 CRD2 (25 mg/mL) and 250 nL of precipitant (1.5 M Sodium chloride, 10% v/v ethanol, pH 8.5) were mixed in the sitting drop. The single, block shaped crystal was dipped into 2.0 M lithium sulfate and flash frozen in liquid nitrogen during harvesting. |