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 | 2007-06-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9794 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 112.155, 112.155, 73.716 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 1.660 |
R-factor | 0.16475 |
Rwork | 0.164 |
R-free | 0.18567 |
Structure solution method | SAD |
RMSD bond length | 0.022 |
RMSD bond angle | 1.902 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.690 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.110 | 0.650 |
Number of reflections | 62904 | |
<I/σ(I)> | 18.7 | 2.2 |
Completeness [%] | 98.9 | 83.2 |
Redundancy | 6.1 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.1 M TRIS PH 8.5 1.5 AMMONIUM SULFATE, VAPOR DIFFUSION, HANGING DROP, temperature 291K |