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 | 2011-04-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9794 |
Spacegroup name | P 32 |
Unit cell lengths | 49.649, 49.649, 232.566 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.600 - 1.650 |
R-factor | 0.13807 |
Rwork | 0.136 |
R-free | 0.17137 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3isz |
RMSD bond length | 0.020 |
RMSD bond angle | 2.113 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.600 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.056 | |
Number of reflections | 77006 | |
<I/σ(I)> | 30 | |
Completeness [%] | 99.6 | 93.8 |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 289 | 20% (V/V) 1,4-BUTANEDIOL, 0.1M Acetate,, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |