5KKW
Crystal structure of SAR11_1068 bound to a sulfobetaine (3-(1-methylpiperidinium-1-yl)propane-1-sulfonate)
Replaces: 5HMTExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-07 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 43 |
Unit cell lengths | 77.665, 77.665, 44.851 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.840 - 1.880 |
R-factor | 0.20672 |
Rwork | 0.205 |
R-free | 0.23760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5HMT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.917 |
Data reduction software | XDS (May 1, 2016) |
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] | 38.840 | 1.920 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.078 | 0.581 |
Number of reflections | 20952 | |
<I/σ(I)> | 17.2 | 3 |
Completeness [%] | 95.7 | 67.7 |
Redundancy | 7.4 | 6.2 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 1 uL protein (24 mg/mL protein in 10 mM TRIS pH 8.0, 50 mM NaCl, 10 mM 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate) + 1 uL precipitant (0.1 M MES pH 6.5, 27% (w/v) PEG 3350, 0.1 M lithium sulfate) |