4P69
Acek (D477A) ICDH complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 63 |
Unit cell lengths | 198.160, 198.160, 156.071 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.970 - 3.300 |
R-factor | 0.1803 |
Rwork | 0.177 |
R-free | 0.24690 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.694 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.1.27) |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.960 | 19.960 | 3.500 |
High resolution limit [Å] | 3.300 | 9.900 | 3.300 |
Rmerge | 0.157 | 0.041 | 0.910 |
Rpim | 0.044 | 0.010 | 0.322 |
Total number of observations | 367390 | 18086 | 34264 |
Number of reflections | 27331 | ||
<I/σ(I)> | 14.5 | 45 | 2.6 |
Completeness [%] | 99.0 | 87.9 | 98.5 |
Redundancy | 13.4 | 18 | 8 |
CC(1/2) | 0.989 | 0.999 | 0.552 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 2mM DTT, 10% glycerol, 0.1M MES pH 6.0, 25%~30% PEG 300 |