2CFW
AGAO in complex with wc7a (Ru-wire inhibitor, 7-carbon linker, data set a)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-05-10 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 158.049, 62.744, 92.064 |
| Unit cell angles | 90.00, 112.10, 90.00 |
Refinement procedure
| Resolution | 25.850 - 1.740 |
| R-factor | 0.161 |
| Rwork | 0.161 |
| R-free | 0.17600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.473 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.790 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.040 | 0.230 |
| Number of reflections | 317790 | |
| <I/σ(I)> | 22.75 | 4.22 |
| Completeness [%] | 92.2 | 79.1 |
| Redundancy | 3.955 | 3.62 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | THE CRYSTAL WAS GROWN BY HANGING DROP OVER 150 MM CITRATE PH 7.0, 900 MM NH4SO4. THE INHIBITOR WAS ADDED BY SOAKING. A STOICHIOMETRIC EXCESS OF WIRE-INHIBITOR WAS USED, ADDED TO THE RESERVOIR. GLYCEROL WAS THEN, ADDED IN 2-3% INCREMENTS, TO THE RESERVOIR, WITH THE NEW RESERVOIR SOLUTION SUBSTITUTING THE DROP SOLUTION. THE FINAL GLYCEROL CONCENTRATION WAS 30%. |
