5X2S
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 4 mM bezafibrate pH 6.5.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-02-23 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 228.603, 54.598, 138.444 |
| Unit cell angles | 90.00, 103.18, 90.00 |
Refinement procedure
| Resolution | 34.990 - 2.390 |
| R-factor | 0.247 |
| Rwork | 0.245 |
| R-free | 0.28800 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.390 |
| Number of reflections | 65188 |
| <I/σ(I)> | 12.1 |
| Completeness [%] | 98.5 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.7 | 293 | 17%(w/v) PEG 3350, pH 7.7 |
