3U3E
Complex of Wild Type Myoglobin with Phenol in its Proximal Cavity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-26 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 6 |
| Unit cell lengths | 90.309, 90.309, 45.204 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.947 - 1.210 |
| R-factor | 0.14513 |
| Rwork | 0.144 |
| R-free | 0.17041 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.408 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (for MR) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.230 |
| High resolution limit [Å] | 1.210 | 1.210 |
| Rmerge | 0.067 | 0.483 |
| Number of reflections | 64348 | |
| <I/σ(I)> | 13.3 | 9.1 |
| Completeness [%] | 99.1 | 93.7 |
| Redundancy | 6.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 20mM Tris pH 9.0, 1mM EDTA, 2.6M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
