5F0B
Crystal structure of murine neuroglobin mutant F106W at 280 MPa pressure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID09 |
Synchrotron site | ESRF |
Beamline | ID09 |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 2013-07-12 |
Detector | MAR555 FLAT PANEL |
Wavelength(s) | 0.4104 |
Spacegroup name | H 3 2 |
Unit cell lengths | 86.212, 86.212, 114.459 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.146 |
R-factor | 0.1741 |
Rwork | 0.171 |
R-free | 0.23800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4o4t |
RMSD bond length | 0.027 |
RMSD bond angle | 2.451 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.421 | 45.421 | 2.270 |
High resolution limit [Å] | 2.146 | 6.800 | 2.146 |
Rmerge | 0.057 | 0.863 | |
Rmeas | 0.161 | ||
Rpim | 0.054 | 0.021 | 0.306 |
Total number of observations | 80095 | 2504 | 11750 |
Number of reflections | 9151 | ||
<I/σ(I)> | 10.2 | 25.1 | 3.3 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 8.8 | 7.7 | 8.9 |
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 |