4F18
Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with arsenate at pH 8.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| 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 | 36.900, 124.160, 40.900 |
| Unit cell angles | 90.00, 116.51, 90.00 |
Refinement procedure
| Resolution | 33.020 - 0.960 |
| R-factor | 0.09545 |
| Rwork | 0.095 |
| R-free | 0.11004 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3G63 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.159 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.020 | 1.050 |
| High resolution limit [Å] | 0.960 | 0.960 |
| Number of reflections | 183115 | |
| <I/σ(I)> | 18.89 | 4.06 |
| Completeness [%] | 91.7 | 87.5 |
| Redundancy | 3.29 | 2.95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 20-26% PEG 8000, 200mM Li2SO4, 1mM CaCl2, 100mM arsenate pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
