5NW6
Crystal structure of murine neuroglobin under 50 bar krypton pressure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2012-06-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.980 |
Spacegroup name | H 3 2 |
Unit cell lengths | 89.126, 89.126, 115.265 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.700 |
R-factor | 0.1564 |
Rwork | 0.155 |
R-free | 0.18060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q1f |
RMSD bond length | 0.013 |
RMSD bond angle | 1.558 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | REFMAC (5.8.0135) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 64.134 | 26.029 | 1.790 |
High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
Rmerge | 0.019 | 0.366 | |
Rmeas | 0.046 | 0.021 | 0.395 |
Rpim | 0.017 | 0.008 | 0.146 |
Number of reflections | 19585 | ||
<I/σ(I)> | 21.8 | 27.4 | 2.1 |
Completeness [%] | 99.9 | 97.6 | 100 |
Redundancy | 7.1 | 6.7 | 7.3 |
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 |