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 |