6BB5
Human Oxy-Hemoglobin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-04-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 53.730, 53.730, 192.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.748 - 2.280 |
| R-factor | 0.2088 |
| Rwork | 0.205 |
| R-free | 0.24230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dn1 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 0.663 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.748 | |
| High resolution limit [Å] | 2.280 | 2.280 |
| Number of reflections | 13363 | |
| <I/σ(I)> | 38.6 | |
| Completeness [%] | 95.9 | |
| Redundancy | 27.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 277 | 1 mL 40 mg/mL hemoglobin + 2.65 M (final concentration) phosphate buffer, topped with 100 uL toluene |
