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 |