5NVI
Crystal structure of murine neuroglobin under 50 bar argon 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 | 89.198, 89.198, 115.348 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.600 |
R-factor | 0.1947 |
Rwork | 0.193 |
R-free | 0.22990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q1f |
RMSD bond length | 0.013 |
RMSD bond angle | 1.595 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | REFMAC (5.8.0135) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 64.184 | 22.105 | 1.690 |
High resolution limit [Å] | 1.600 | 5.060 | 1.600 |
Rmerge | 0.069 | 0.443 | |
Rmeas | 0.093 | 0.078 | 0.486 |
Rpim | 0.038 | 0.033 | 0.190 |
Number of reflections | 22951 | ||
<I/σ(I)> | 7.5 | 4.5 | 1.6 |
Completeness [%] | 97.7 | 87.5 | 99.5 |
Redundancy | 5.4 | 5.6 | 5.4 |
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 |