4DWU
Carbonmonoxy dehaloperoxidase-hemoglobin A structure at 1.44 Angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91339 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.922, 67.622, 68.391 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.200 - 1.440 |
| R-factor | 0.18059 |
| Rwork | 0.179 |
| R-free | 0.20224 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qfk |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.743 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.200 | 1.482 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.047 | 0.397 |
| Number of reflections | 43419 | |
| <I/σ(I)> | 24.6 | 3.2 |
| Completeness [%] | 93.8 | 57.53 |
| Redundancy | 4.3 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 277 | 0.2 M ammonium sulfate, 32% w/v PEG4000, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
