7KB6
Co-crystal structure of alpha glucosidase with compound 7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-04-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 32 |
Unit cell lengths | 102.909, 102.909, 239.827 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.560 - 2.200 |
R-factor | 0.167 |
Rwork | 0.167 |
R-free | 0.19350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5f0e |
RMSD bond length | 0.003 |
RMSD bond angle | 0.688 |
Data reduction software | HKL-2000 (v717.1) |
Data scaling software | HKL-2000 (v717.1) |
Phasing software | PHENIX (1.18.2_3874) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.560 | 2.279 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.129 | 0.976 |
Rmeas | 0.139 | 1.060 |
Rpim | 0.052 | 0.406 |
Number of reflections | 140562 | 13540 |
<I/σ(I)> | 9.2 | 1.13 |
Completeness [%] | 97.5 | 93.75 |
Redundancy | 6.4 | |
CC(1/2) | 0.993 | 0.654 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 297 | 0.09M NPS, 0.1M Buffer system 1 pH 7.0, 29.0%v/v P500MME_P20K (Morpheus screen, condition C1) |