4UAB
Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound ethanolamine
Replaces: 4N5WExperimental 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 | 2013-10-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 122.606, 51.117, 112.054 |
Unit cell angles | 90.00, 116.27, 90.00 |
Refinement procedure
Resolution | 31.284 - 1.400 |
R-factor | 0.1835 |
Rwork | 0.182 |
R-free | 0.20600 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.225 |
Data scaling software | SCALA (3.3.20) |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.485 | 60.890 | 1.480 |
High resolution limit [Å] | 1.400 | 4.430 | 1.400 |
Rmerge | 0.040 | 0.712 | |
Rmeas | 0.093 | ||
Rpim | 0.036 | 0.023 | 0.353 |
Total number of observations | 748645 | 24974 | 87367 |
Number of reflections | 119470 | ||
<I/σ(I)> | 13 | 34.4 | 2 |
Completeness [%] | 97.4 | 94.1 | 93.4 |
Redundancy | 6.3 | 6.6 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | Protein (29.1 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT); Reservoir (0.1 M Magnesium Chloride 0.1 M MES pH 6.5 30 %(w/v) PEG 400); Cryoprotection (Reservoir) |