Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 4A |
Synchrotron site | PAL/PLS |
Beamline | 4A |
Temperature [K] | 97 |
Detector technology | CCD |
Collection date | 2007-05-15 |
Detector | ADSC CCD |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 121.846, 121.846, 33.575 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.880 - 2.300 |
R-factor | 0.21976 |
Rwork | 0.219 |
R-free | 0.23456 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.027 |
RMSD bond angle | 1.905 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.080 | 0.080 |
Number of reflections | 13136 | |
<I/σ(I)> | 32 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 100 | 18.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.1M SODIUM CHLORIDE, 0.1M BIS-TRIS PH6.5, 1.5M AMMONIUM SULFATE |