5KDQ
Deoxyhemoglobin in Complex with an Aryloxyalkanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-05-12 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.222, 80.830, 53.397 |
| Unit cell angles | 90.00, 80.77, 90.00 |
Refinement procedure
| Resolution | 29.640 - 2.150 |
| R-factor | 0.1957 |
| Rwork | 0.192 |
| R-free | 0.25710 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2dn2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.284 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHENIX (1.6.4_486) |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.640 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.064 | 0.146 |
| Number of reflections | 27383 | |
| <I/σ(I)> | 21 | 8.4 |
| Completeness [%] | 96.2 | 94.1 |
| Redundancy | 6.75 | 6.73 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 6.5 | 298 | 3.2 M Sulfate/phosphate precipitant, pH 6.8, LIQUID DIFFUSION |
