4OAN
Crystal structure of a TRAP periplasmic solute binding protein from rhodopseudomonas palustris HaA2 (RPB_2686), TARGET EFI-510221, with density modeled as (S)-2-hydroxy-2-methyl-3-oxobutanoate ((S)-2-Acetolactate)
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 | 2013-11-26 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 |
Unit cell lengths | 55.064, 59.609, 61.005 |
Unit cell angles | 62.62, 71.24, 67.18 |
Refinement procedure
Resolution | 31.401 - 1.350 |
R-factor | 0.1439 |
Rwork | 0.143 |
R-free | 0.16250 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.281 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHENIX (AUTOSOLVE) |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 53.334 | 50.729 | 1.420 |
High resolution limit [Å] | 1.350 | 4.270 | 1.350 |
Rmerge | 0.069 | 0.026 | 0.532 |
Total number of observations | 14623 | 73193 | |
Number of reflections | 129995 | ||
<I/σ(I)> | 11.8 | 25 | 1.4 |
Completeness [%] | 94.6 | 93.4 | 92.6 |
Redundancy | 3.9 | 3.6 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | sitting drop vapor diffusion | 6.9 | 298 | Protein (29.4 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT); Reservoir (0.2 M Sodium Thiocyanate pH 6.9, 20 %(w/v) PEG 3350); Cryoprotection (Reservoir with 20% Glycerol), sitting drop vapor diffusion, temperature 298K |