6LW2
The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase
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 | 2020-01-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979500 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.315, 83.595, 280.338 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.950 - 2.400 |
R-factor | 0.2283 |
Rwork | 0.225 |
R-free | 0.29000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fie |
RMSD bond length | 0.009 |
RMSD bond angle | 1.051 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 140.000 | 6.180 |
High resolution limit [Å] | 2.360 | 2.360 |
Number of reflections | 65874 | 80510 |
<I/σ(I)> | 6.3 | |
Completeness [%] | 97.8 | |
Redundancy | 2 | |
CC(1/2) | 0.995 | 0.985 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M Ammonium acetate, 0.1M HEPES, 20% PEG 3350, pH 7.0 |