5WNN
Crystal structure of Phosphate-binding protein PstS protein from Burkholderia pseudomallei
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-06-19 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 116.640, 59.840, 101.090 |
Unit cell angles | 90.00, 120.97, 90.00 |
Refinement procedure
Resolution | 43.339 - 1.850 |
R-factor | 0.1719 |
Rwork | 0.170 |
R-free | 0.21750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ixh |
RMSD bond length | 0.006 |
RMSD bond angle | 0.775 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.339 | 43.339 | 1.900 |
High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
Rmerge | 0.041 | 0.027 | 0.388 |
Rmeas | 0.050 | 0.032 | 0.549 |
Number of reflections | 49982 | 593 | 3396 |
<I/σ(I)> | 15.23 | 41.63 | 2.03 |
Completeness [%] | 97.4 | 96.4 | 90.3 |
Redundancy | 2.648 | 3.427 | 1.712 |
CC(1/2) | 0.999 | 0.999 | 0.863 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | Optimization screen around Rigaku Reagents JCSG+ screen, G9: 30% PEG2000 MME, 100 mM potassium thiocyanate, 20 mg/mL BupsE.18050.a.A1.PS01695, cryoprotectant: 20% ethylene glycol, tray 251795e1, puck cul4-7 |