Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2012-12-18 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.987 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 178.682, 52.589, 125.917 |
Unit cell angles | 90.00, 123.86, 90.00 |
Refinement procedure
Resolution | 28.520 - 2.959 |
R-factor | 0.207099158562 |
Rwork | 0.205 |
R-free | 0.24486 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries 4GBR & 4LDE |
RMSD bond length | 0.002 |
RMSD bond angle | 0.571 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.090 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.167 | 0.525 |
Number of reflections | 18742 | 1012 |
<I/σ(I)> | 1.52 | 1.52 |
Completeness [%] | 92.6 | 75 |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 7.5 | 293.15 | 31-34% PEG400, 100 mM HEPES, pH 7.5, 1% 1,2,3-heptanetriol |