6EYE
Crystal structure of murine neuroglobin under 150 bar krypton
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-20 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.8556 |
Spacegroup name | H 3 2 |
Unit cell lengths | 87.854, 87.854, 113.210 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.410 - 1.700 |
R-factor | 0.1962 |
Rwork | 0.194 |
R-free | 0.25394 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4o4t |
RMSD bond length | 0.023 |
RMSD bond angle | 2.241 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.410 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.043 | 0.275 |
Rmeas | 0.045 | 0.318 |
Rpim | 0.013 | 0.151 |
Number of reflections | 18730 | 2672 |
<I/σ(I)> | 28.3 | |
Completeness [%] | 99.8 | 99.1 |
Redundancy | 19.6 | 4.7 |
CC(1/2) | 0.999 | 0.893 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 1.6M AMMONIUM SULPHATE, 0.1M MES |