9QYX
MINPP1 from Bacteroides thetaiotaomicron T30E 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 | CCD |
| Collection date | 2019-04-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.930, 118.580, 75.080 |
| Unit cell angles | 90.00, 107.41, 90.00 |
Refinement procedure
| Resolution | 50.510 - 1.540 |
| R-factor | 0.1795 |
| Rwork | 0.178 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.553 |
| 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] | 50.510 | 1.595 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Number of reflections | 127568 | 10978 |
| <I/σ(I)> | 15.95 | 1.13 |
| Completeness [%] | 98.0 | 84.31 |
| Redundancy | 6.8 | 4.9 |
| CC(1/2) | 1.000 | 0.530 |
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 |
