Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97951 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.222, 93.253, 145.149 |
Unit cell angles | 90.00, 97.86, 90.00 |
Refinement procedure
Resolution | 47.930 - 2.600 |
R-factor | 0.16801 |
Rwork | 0.165 |
R-free | 0.23312 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4PS9 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.756 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.059 | 0.080 |
Number of reflections | 67318 | |
<I/σ(I)> | 63.1 | |
Completeness [%] | 99.4 | 98.7 |
Redundancy | 7.3 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 287 | 0.15M DL MALIC ACID PH 7.0, 18% PEG 3350 (W/V) |