5EOH
Crystal structure of murine neuroglobin at 270 MPa pressure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE CRISTAL |
| Synchrotron site | SOLEIL |
| Beamline | CRISTAL |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2012-05-02 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.4540 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 87.560, 87.560, 113.636 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.1711 |
| Rwork | 0.169 |
| R-free | 0.22140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4o4t |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.010 |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.470 | 45.470 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.054 | 0.473 | |
| Rmeas | 0.106 | ||
| Rpim | 0.049 | 0.032 | 0.244 |
| Total number of observations | 62535 | 1945 | 8986 |
| Number of reflections | 13380 | ||
| <I/σ(I)> | 10.3 | 20.8 | 3.3 |
| Completeness [%] | 99.8 | 98.4 | 99.7 |
| Redundancy | 4.7 | 4.3 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.6 M ammonium sulfate, 0.1 M MES, 10 % dioxane |
