6I40
Crystal structure of murine neuroglobin bound to CO at 15K under illumination using optical fiber
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 15 |
| Detector technology | CCD |
| Collection date | 2010-04-09 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 88.043, 88.043, 110.160 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.040 - 1.900 |
| R-factor | 0.16949 |
| Rwork | 0.167 |
| R-free | 0.21454 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1q1f |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.373 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.630 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.055 | 0.373 |
| Number of reflections | 12847 | 1878 |
| <I/σ(I)> | 16.9 | 3 |
| Completeness [%] | 98.5 | 99.9 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M NA ACETATE, 2M NA FORMATE, Ph 4.6 |
