1T3P
Half-sandwich arene ruthenium(II)-enzyme complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-02-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 80.142, 80.142, 37.064 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.800 - 1.600 |
| R-factor | 0.1841 |
| Rwork | 0.182 |
| R-free | 0.21741 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 193l |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.422 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.800 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 16497 | |
| <I/σ(I)> | 2.3 | 2.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.9 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | NaCl, Na acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
