8HAY
d4-bound btDPP4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-10-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 96.106, 149.411, 137.898 |
Unit cell angles | 90.00, 103.74, 90.00 |
Refinement procedure
Resolution | 36.940 - 2.740 |
Rwork | 0.199 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r9n |
RMSD bond length | 0.009 |
RMSD bond angle | 1.066 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.940 | 2.790 |
High resolution limit [Å] | 2.740 | 2.740 |
Number of reflections | 95310 | 4869 |
<I/σ(I)> | 7.55 | |
Completeness [%] | 96.1 | |
Redundancy | 3.5 | |
CC(1/2) | 0.984 | 0.615 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 0.1 M HEPES pH 8.35, 12% PEG 3,350 |