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 |
