7E96
Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 69% oxygen saturation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 95 |
Detector technology | PIXEL |
Collection date | 2016-06-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9800 |
Spacegroup name | H 3 2 |
Unit cell lengths | 110.213, 110.213, 274.656 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.610 - 2.400 |
R-factor | 0.1942 |
Rwork | 0.192 |
R-free | 0.23850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zs0 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.850 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 25540 | 4054 |
<I/σ(I)> | 12.6 | 1.7 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 10 | 10.3 |
CC(1/2) | 0.998 | 0.596 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 11-12 % (w/v) polyethylene glycol (PEG) 10,000, 10 mM CaCl2, 200 mM Tris-HCl pH 8.0 |