8WDQ
Crystal Structure of Pseudomonas aeruginosa SuhB in complex with D-myo-inositol-1-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
| Synchrotron site | RRCAT INDUS-2 |
| Beamline | PX-BL21 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2023-08-29 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.620, 88.690, 97.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.750 - 2.200 |
| R-factor | 0.1747 |
| Rwork | 0.172 |
| R-free | 0.22030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.761 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.480 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 29259 | 4112 |
| <I/σ(I)> | 7.9 | |
| Completeness [%] | 98.9 | 97.5 |
| Redundancy | 4.3 | 3.9 |
| CC(1/2) | 0.988 | 0.866 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | Sodium acetate trihydrate/acetate buffer, PEG 3350, pH 4.5 |
