7MEL
Sco GlgEI-V279S in complex with 4-alpha-glucoside of validamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-07-31 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9787 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 113.049, 113.049, 311.506 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.780 - 1.750 |
R-factor | 0.1764 |
Rwork | 0.176 |
R-free | 0.19720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4u31 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.889 |
Data reduction software | DIALS |
Data scaling software | xia2 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.780 | 1.813 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.092 | 1.308 |
Rmeas | 0.096 | 1.618 |
Rpim | 0.026 | 0.931 |
Number of reflections | 195923 | 14983 |
<I/σ(I)> | 16.2 | 0.93 |
Completeness [%] | 96.2 | 71.7 |
Redundancy | 11.6 | 2.4 |
CC(1/2) | 0.999 | 0.357 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289.15 | 0.2 mM Sodium citrate pH 7 and 10 % PEG 3,350 |