5LQ8
1.52 A resolution structure of PhnD1 from Prochlorococcus marinus (MIT 9301) in complex with methylphosphonate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97951 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.860, 57.080, 54.170 |
Unit cell angles | 90.00, 106.56, 90.00 |
Refinement procedure
Resolution | 44.000 - 1.520 |
R-factor | 0.15997 |
Rwork | 0.158 |
R-free | 0.20707 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lq5 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.519 |
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] | 44.000 | 1.550 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmerge | 0.021 | 0.431 |
Number of reflections | 40089 | |
<I/σ(I)> | 16.2 | 1.2 |
Completeness [%] | 97.0 | 90.4 |
Redundancy | 2.2 | 1.8 |
CC(1/2) | 0.997 | 0.679 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 290 | 0.1 M MMT (DL-malic acid, MES and Tris base) buffer pH 8.0 and 25% (w/v) PEG 1500 |