5LQ1
1.41 A resolution structure of PtxB from Trichodesmium erythraeum IMS101 in complex with methylphosphonate
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 | 2016-07-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97629 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.481, 53.703, 66.388 |
| Unit cell angles | 84.82, 78.26, 69.74 |
Refinement procedure
| Resolution | 64.980 - 1.410 |
| R-factor | 0.18221 |
| Rwork | 0.180 |
| R-free | 0.23031 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jvb |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.514 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.050 | 1.430 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.032 | 0.664 |
| Number of reflections | 91920 | |
| <I/σ(I)> | 9.1 | 1.1 |
| Completeness [%] | 95.2 | 75.4 |
| Redundancy | 3.3 | 2.8 |
| CC(1/2) | 0.999 | 0.480 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 290 | 0.2 M Magnesium chloride, 0.1 M Sodium acetate pH 5.0 and 20 % (w/v) PEG 6000 |
