4R6D
Modified mTFP* for enhanced metal binding: co-crystallization with CuCl2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-06 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.198, 67.656, 84.271 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.550 |
| R-factor | 0.1529 |
| Rwork | 0.151 |
| R-free | 0.19397 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4q9w |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.608 |
| Data reduction software | PROTEUM PLUS (PLUS) |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 1.650 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.040 | 0.390 |
| Number of reflections | 32526 | |
| <I/σ(I)> | 17 | 4.7 |
| Completeness [%] | 99.9 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 25.9% PEG3000, 100mM MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
