4F19
Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with arsenate at pH 4.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Detector technology | PIXEL |
| Collection date | 2011-11-24 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.826 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.970, 124.440, 41.010 |
| Unit cell angles | 90.00, 116.40, 90.00 |
Refinement procedure
| Resolution | 36.730 - 0.950 |
| R-factor | 0.09591 |
| Rwork | 0.095 |
| R-free | 0.11111 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3G62 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.178 |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.730 | 1.050 |
| High resolution limit [Å] | 0.950 | 0.950 |
| Number of reflections | 202817 | |
| <I/σ(I)> | 15.6 | 4.45 |
| Completeness [%] | 97.5 | 97.4 |
| Redundancy | 2.77 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 20-26% PEG 8000, 200mM Li2SO4, 1mM CaCl2, 100mM arsenate pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
