3DUT
The high salt (phosphate) crystal structure of deoxy hemoglobin E (GLU26LYS) at physiological pH (pH 7.35)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X3A |
| Synchrotron site | NSLS |
| Beamline | X3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-02 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.256, 79.632, 62.346 |
| Unit cell angles | 90.00, 98.66, 90.00 |
Refinement procedure
| Resolution | 9.990 - 1.550 |
| R-factor | 0.221 |
| Rwork | 0.218 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.936 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.480 |
| High resolution limit [Å] | 1.430 | 3.080 | 1.430 |
| Rmerge | 0.042 | 0.027 | 0.650 |
| Number of reflections | 89125 | ||
| <I/σ(I)> | 14.6 | ||
| Completeness [%] | 93.9 | 94.6 | 72 |
| Redundancy | 4 | 4.1 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.35 | 294 | 1.65 M potassium phosphate, 0.05 M Bis-Tris, pH 7.35, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
