5LQ5
1.46 A resolution structure of PhnD1 from Prochlorococcus marinus (MIT 9301) in complex with phosphite
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 | 46.330, 57.610, 54.790 |
| Unit cell angles | 90.00, 107.15, 90.00 |
Refinement procedure
| Resolution | 44.270 - 1.460 |
| R-factor | 0.14764 |
| Rwork | 0.146 |
| R-free | 0.18000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jvb |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.468 |
| 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] | 44.270 | 1.490 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.021 | 0.670 |
| Number of reflections | 46137 | |
| <I/σ(I)> | 15.8 | 1.1 |
| Completeness [%] | 97.3 | 78.4 |
| Redundancy | 3.5 | 2.5 |
| CC(1/2) | 0.999 | 0.569 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 290 | 0.1 M SPG (succinic acid, sodium dihydrogen phosphate, glycine) buffer pH 8.0 and 25% (w/v) PEG 1500 |
