5I7I
Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, locus tag GOS_1523157) in complex with co-crystallized 3-hydroxybenzoate
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 | 2015-11-15 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.091, 82.588, 75.961 |
| Unit cell angles | 90.00, 98.39, 90.00 |
Refinement procedure
| Resolution | 37.575 - 1.300 |
| R-factor | 0.149 |
| Rwork | 0.148 |
| R-free | 0.17260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Intial model obtained from a TrimethylLeadAceate Derivative dataset |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.007 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.9) |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 82.590 | 82.590 | 1.320 |
| High resolution limit [Å] | 1.300 | 7.120 | 1.300 |
| Rmerge | 0.082 | 0.025 | 0.727 |
| Rmeas | 0.030 | 0.878 | |
| Rpim | 0.016 | 0.484 | |
| Total number of observations | 2626 | 19208 | |
| Number of reflections | 133576 | ||
| <I/σ(I)> | 11 | 28.8 | 1.9 |
| Completeness [%] | 96.8 | 85.5 | 92.5 |
| Redundancy | 3.5 | 3.4 | 3 |
| CC(1/2) | 0.998 | 0.999 | 0.583 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Protein (10 mM HEPES pH 7.5, 5 mM DTT, 75 mg/ml); Reservoir (MCSG2 A2)(0.1 M HEPES pH 7.5, 20 %(w/v) PEG 8000); Cryoprotection (20% Diethylene Glycol, 80% Reservoir) |
