6PCE
Human Coa6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 31.950, 52.409, 78.296 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.550 - 1.650 |
R-factor | 0.19234 |
Rwork | 0.188 |
R-free | 0.22912 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.749 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHELXDE |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 16393 | 1602 |
<I/σ(I)> | 29.9 | |
Completeness [%] | 99.8 | |
Redundancy | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M HEPES, pH 7.6, 29% (w/v) PEG 3350 |