5EQM
Crystal structure of murine neuroglobin at 310 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 | 87.372, 87.372, 113.284 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.050 |
R-factor | 0.1746 |
Rwork | 0.172 |
R-free | 0.23710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4o4t |
RMSD bond length | 0.023 |
RMSD bond angle | 2.219 |
Data reduction software | XDS |
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] | 45.345 | 45.345 | 2.160 |
High resolution limit [Å] | 2.050 | 6.480 | 2.050 |
Rmerge | 0.051 | 0.541 | |
Rmeas | 0.126 | ||
Rpim | 0.057 | 0.029 | 0.268 |
Total number of observations | 51538 | 1602 | 7525 |
Number of reflections | 10340 | ||
<I/σ(I)> | 9.8 | 21.3 | 3.2 |
Completeness [%] | 97.6 | 95.5 | 97.8 |
Redundancy | 5 | 4.6 | 5 |
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 |