5X2U
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 80 mM phosphate pH 6.7.
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 | 228.886, 55.812, 139.963 |
| Unit cell angles | 90.00, 102.39, 90.00 |
Refinement procedure
| Resolution | 39.740 - 2.530 |
| R-factor | 0.233 |
| Rwork | 0.231 |
| R-free | 0.27400 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| 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] | 2.530 |
| Number of reflections | 57084 |
| <I/σ(I)> | 15.3 |
| Completeness [%] | 98.4 |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.7 | 293 | 17%(w/v) PEG 3350, pH 7.7 |
