5MJC
metNeuroglobin under oxygen at 50 bar
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.8859 |
Spacegroup name | H 3 2 |
Unit cell lengths | 87.351, 87.351, 112.650 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 62.800 - 1.620 |
R-factor | 0.1702 |
Rwork | 0.168 |
R-free | 0.20705 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4o4t |
RMSD bond length | 0.018 |
RMSD bond angle | 2.090 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.660 | 1.700 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.069 | 0.281 |
Number of reflections | 20818 | |
<I/σ(I)> | 21.4 | 4.3 |
Completeness [%] | 99.6 | 100 |
Redundancy | 7.3 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.6M AMMONIUM SULPHATE, 0.1M MES, PH 6.5, 10% DIOXANE, VAPOR DIFFUSION, HANGING DROP |