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 |