5IDD
Comment on S. W. M. Tanley and J. R. Helliwell Structural dynamics of cisplatin binding to histidine in a protein Struct. Dyn. 1, 034701 (2014) regarding the refinement of 4mwk, 4mwm, 4mwn and 4oxe and the method we have adopted.
Replaces: 4OXEExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR-H |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2012-11-18 |
| Detector | APEX II CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 26.957, 31.794, 34.055 |
| Unit cell angles | 88.76, 71.99, 68.33 |
Refinement procedure
| Resolution | 32.210 - 1.130 |
| R-factor | 0.17964 |
| Rwork | 0.177 |
| R-free | 0.21982 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oxe |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.056 |
| Data reduction software | SAINT |
| Data scaling software | APEX 2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.210 | 1.160 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Rmerge | 0.086 | 0.310 |
| Number of reflections | 35817 | |
| <I/σ(I)> | 7.2 | 2 |
| Completeness [%] | 94.1 | 77 |
| Redundancy | 2.9 | 1.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 4.7 | 293 | CRYSTALLIZATION CONDITIONS: 40MG HEWL (2.7MM) CO-CRYSTALLISED WITH 3MG CARBOPLATIN (8.1MM). 462.5 microL OF A 0.02M NAAC SOLUTION ALONG REMARK 280 WITH 462.5 microL OF A 0.5M NANO3 SOLUTION WAS USED WITH 75 microL DMSO. |
