5EYJ
Crystal structure of murine neuroglobin mutant V101F at 240 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 | 87.199, 87.199, 113.904 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.400 |
R-factor | 0.149 |
Rwork | 0.144 |
R-free | 0.26030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4o4t |
RMSD bond length | 0.033 |
RMSD bond angle | 2.922 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.5.7) |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 62.940 | 45.471 | 2.530 |
High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
Rmerge | 0.070 | 0.781 | |
Rmeas | 0.205 | ||
Rpim | 0.089 | 0.038 | 0.366 |
Total number of observations | 33463 | 1045 | 4907 |
Number of reflections | 6714 | ||
<I/σ(I)> | 4.9 | 11.6 | 1.8 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 5 | 4.3 | 5.1 |
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 |