4NSG
Carboplatin binding to HEWL in NaBr crystallisation conditions studied at an X-ray wavelength of 1.5418A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR-H |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-02 |
| Detector | APEX II CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.377, 78.377, 37.213 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.420 - 2.000 |
| R-factor | 0.22121 |
| Rwork | 0.219 |
| R-free | 0.27085 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w1y |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.685 |
| Data reduction software | SAINT |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.420 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.224 | 0.619 |
| Number of reflections | 7675 | |
| <I/σ(I)> | 10.8 | 1.3 |
| Completeness [%] | 94.6 | 85.9 |
| Redundancy | 18.1 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch | 4.7 | 294 | 20mg HEWL co-crystallised with 1.4mg carboplatin with 75 l DMSO, 462.5 l 0.1M NaAc and 462.5 l 1M NaBr solution., pH 4.7, Batch, temperature 294K |
