7ZFG
VDR complex with aromatic D-ring analog
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-09 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 65.830, 65.830, 264.920 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.900 - 2.620 |
R-factor | 0.2048 |
Rwork | 0.199 |
R-free | 0.26050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hc4 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.004 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.900 | 2.710 |
High resolution limit [Å] | 2.620 | 2.620 |
Number of reflections | 11022 | 1045 |
<I/σ(I)> | 35.55 | |
Completeness [%] | 99.4 | |
Redundancy | 2 | |
CC(1/2) | 1.000 | 0.900 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | NaAcetate 2.5M, BisTris 0.1M |