4NF0
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM PSEUDOMONAS AERUGINOSA PAO1 (PA4616), TARGET EFI-510182, WITH BOUND L-Malate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-08-12 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 |
Unit cell lengths | 71.959, 73.910, 122.140 |
Unit cell angles | 99.01, 91.59, 95.09 |
Refinement procedure
Resolution | 33.563 - 1.850 |
R-factor | 0.1969 |
Rwork | 0.195 |
R-free | 0.23910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mx6 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.041 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (0.1.27) |
Phasing software | AMoRE |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 120.525 | 1.870 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.075 | 0.730 |
Number of reflections | 204171 | |
<I/σ(I)> | 5.4 | 4.2 |
Completeness [%] | 96.7 | 95.3 |
Redundancy | 4.1 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | sitting drop vapor diffusion | 7.5 | 298 | Protein (10 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM DL-Malate); Reservoir (0.2 M Ammonium Sulfate, 22%(w/v) PEG 4000, 0.1 M Sodium Acetate); Cryoprotection (20% ethylene glycol, 80% 2.0 M reservoir), sitting drop vapor diffusion, temperature 298K |