4YEO
Triclinic HEWL co-crystallised with cisplatin, studied at a data collection temperature of 150K - new refinement
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 150 |
| Detector technology | CCD |
| Collection date | 2012-12-07 |
| Detector | APEX II CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 26.998, 31.807, 34.072 |
| Unit cell angles | 89.08, 72.00, 67.81 |
Refinement procedure
| Resolution | 29.260 - 0.980 |
| R-factor | 0.1133 |
| Rwork | 0.112 |
| R-free | 0.13130 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4mwk |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.711 |
| Data reduction software | SAINT |
| Data scaling software | APEX |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.280 | 1.020 |
| High resolution limit [Å] | 0.980 | 0.980 |
| Rmerge | 0.045 | 0.209 |
| Number of reflections | 48959 | |
| <I/σ(I)> | 15.6 | 3.2 |
| Completeness [%] | 94.8 | 51.7 |
| Redundancy | 3.5 | 0.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 4.7 | 294 | 40mg HEWL co-crystallised with 2.6mg cisplatin, with the platinum compounds being in a 3-fold molar excess to the protein. 462.5 ul of a 0.02M NaAc solution along with 462.5 ul of a 0.5M NaNo3 solution was used with 75 ul DMSO added |
