9QYV
MINPP1 from Bacteroides thetaiotaomicron Q276W mutant complex with myo-inositol hexakissulfate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-27 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.311, 120.823, 75.719 |
Unit cell angles | 90.00, 107.63, 90.00 |
Refinement procedure
Resolution | 48.450 - 1.900 |
R-factor | 0.1721 |
Rwork | 0.170 |
R-free | 0.20850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.068 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.450 | 1.968 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 69085 | 6544 |
<I/σ(I)> | 12.37 | 2.46 |
Completeness [%] | 98.1 | |
Redundancy | 7.1 | |
CC(1/2) | 0.998 | 0.883 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 289 | 0.2 M ammonium acetate pH 5.0 18 % (w/v) PEG 3350 |