7VLE
Oxy-deoxy intermediate of V2 hemoglobin at 55% oxygen saturation
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] | 95 |
Detector technology | CCD |
Collection date | 2013-11-01 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 63 |
Unit cell lengths | 109.644, 109.644, 195.496 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.870 - 2.300 |
R-factor | 0.2027 |
Rwork | 0.200 |
R-free | 0.24650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wct |
RMSD bond length | 0.005 |
RMSD bond angle | 0.747 |
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 | 2.440 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 58863 | |
<I/σ(I)> | 15.6 | 1.8 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 11.1 | 9.1 |
CC(1/2) | 0.999 | 0.584 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 14-17% (w/v) PEG 3350, 100mM HEPES-NaOH pH 7.5 |