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 |
