5JVB
1.95A resolution structure of PtxB from Trichodesmium erythraeum IMS101 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 | 2014-05-04 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96861 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.340, 69.310, 66.530 |
| Unit cell angles | 90.00, 93.07, 90.00 |
Refinement procedure
| Resolution | 47.960 - 1.950 |
| R-factor | 0.21762 |
| Rwork | 0.215 |
| R-free | 0.26654 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p7i |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.477 |
| Data reduction software | XDS (xia2) |
| Data scaling software | Aimless (xia2) |
| Phasing software | PHASER (Mr Bump) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.960 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.081 | |
| Number of reflections | 35004 | |
| <I/σ(I)> | 7.3 | 1.3 |
| Completeness [%] | 97.2 | 98.9 |
| Redundancy | 3.6 | 3.7 |
| CC(1/2) | 0.994 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 290 | 0.2 M NaCl, 0.1 M phosphate-citrate buffer pH 4.2 and 20 % PEG 8000 |
