5WJP
Crystal structure of the cyclohexadienyl dehydratase-like solute-binding protein SAR11_1068 from Candidatus Pelagibacter ubique.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0332 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.730, 65.870, 90.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.430 - 1.570 |
R-factor | 0.184 |
Rwork | 0.183 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kbr |
RMSD bond length | 0.023 |
RMSD bond angle | 2.111 |
Data reduction software | MOSFLM (7.0.9) |
Data scaling software | Aimless (0.1.29) |
Phasing software | PHASER (2.5.2) |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.430 | 1.590 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmerge | 0.129 | 1.678 |
Number of reflections | 32445 | |
<I/σ(I)> | 12.7 | 1.9 |
Completeness [%] | 97.3 | 96.6 |
Redundancy | 11.5 | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 291 | 1.5 uL 18 mg/mL protein (10 mM TRIS pH 8.0, 100 mM NaCl, 10% glycerol) + 1.5 uL 24% PEG 8000, 5% PEG 400, 0.1 M BIS-TRIS propane pH 9.0. |