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) |
