7VLC
Oxy-deoxy intermediate of V2 hemoglobin at 78% oxygen saturation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2009-10-12 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 63 |
| Unit cell lengths | 109.192, 109.192, 194.737 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.620 - 2.200 |
| R-factor | 0.1997 |
| Rwork | 0.198 |
| R-free | 0.24240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wct |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.603 |
| 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 | 2.330 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 66402 | 10687 |
| <I/σ(I)> | 17.2 | 2 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 10.7 | 7 |
| CC(1/2) | 0.999 | 0.717 |
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 |
