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 |