5ENM
Compound 10
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-03-30 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 102.234, 102.234, 170.579 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 88.390 - 1.980 |
R-factor | 0.25609 |
Rwork | 0.255 |
R-free | 0.28368 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.864 |
Data reduction software | HKL-2000 |
Data scaling software | autoPROC |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 88.390 |
High resolution limit [Å] | 1.980 |
Number of reflections | 35629 |
<I/σ(I)> | 27.8 |
Completeness [%] | 100.0 |
Redundancy | 19 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 295 | 10% PEG MME 5K, 9% PEG 8K, 0.2 M NH4I, 0.2 M Na-citrate pH 6.4 |