Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-07 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 37.550, 37.550, 54.371 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.520 - 1.160 |
| R-factor | 0.139 |
| Rwork | 0.138 |
| R-free | 0.16200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4E87 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.966 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.520 | 1.180 |
| High resolution limit [Å] | 1.160 | 1.160 |
| Number of reflections | 15712 | |
| Completeness [%] | 98.6 | 98.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.3 | 293 | 1UL, 1mM D(ATGCAT)2 1UL, 3mM RAC-[RU(PHEN)2DPPZ]2CL 6UL, 40mM SPERMINE, 40mM SODIUM CACODYLATE PH 6.3, 10% MPD (V/V), 80 mM KCL, 20 mM BaCL2, 1ML OF 35% MPD, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
