Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0441 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.083, 48.492, 112.347 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.730 - 2.000 |
R-factor | 0.1888 |
Rwork | 0.185 |
R-free | 0.25760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4flb |
RMSD bond length | 0.014 |
RMSD bond angle | 1.407 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0027) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.030 |
High resolution limit [Å] | 2.000 | 5.420 | 2.000 |
Rmerge | 0.103 | 0.032 | 0.885 |
Number of reflections | 18559 | ||
<I/σ(I)> | 7.6 | ||
Completeness [%] | 99.8 | 99.9 | 97.6 |
Redundancy | 6.9 | 6.5 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 291 | 30% PEG550MME, 0.1M ammounium sulfate, 0.1M sodium cacodylate, pH 6.5, vapor diffusion, temperature 291K |