6VC6
2.1 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Gut Microorganisms in Complex with NAD and Mn2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-10-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9793 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 194.460, 62.257, 160.706 |
Unit cell angles | 90.00, 90.35, 90.00 |
Refinement procedure
Resolution | 48.614 - 2.133 |
R-factor | 0.1977 |
Rwork | 0.196 |
R-free | 0.22860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dvv |
RMSD bond length | 0.004 |
RMSD bond angle | 0.772 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.11.1-2575_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
High resolution limit [Å] | 2.130 | 5.810 | 2.130 |
Rmerge | 0.120 | 0.103 | 0.634 |
Rmeas | 0.135 | 0.116 | 0.720 |
Rpim | 0.060 | 0.053 | 0.334 |
Number of reflections | 106570 | 5552 | 5239 |
<I/σ(I)> | 5.3 | ||
Completeness [%] | 99.4 | 99.2 | 98.3 |
Redundancy | 4.8 | 4.7 | 4.3 |
CC(1/2) | 0.983 | 0.742 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 297 | 0.6M Sodium Chloride, 0.1M MES:NaOH, 20% PEG4000 |