Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2012-03-07 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 65 |
| Unit cell lengths | 59.940, 59.940, 301.100 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.390 - 1.950 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4GDT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.354 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.910 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 43500 | |
| Completeness [%] | 94.7 | 90 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 293 | 2.2 M SODIUM MALONATE, PH 7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |
