5O1K
Crystal structure of murine neuroglobin mutant V140W under 20 bar xenon pressure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM16 |
Synchrotron site | ESRF |
Beamline | BM16 |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2011-02-20 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.980 |
Spacegroup name | H 3 2 |
Unit cell lengths | 89.257, 89.257, 115.416 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.050 |
R-factor | 0.1549 |
Rwork | 0.152 |
R-free | 0.20220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q1f |
RMSD bond length | 0.021 |
RMSD bond angle | 2.035 |
Data reduction software | XDS |
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] | 23.121 | 23.121 | 2.160 |
High resolution limit [Å] | 2.048 | 6.480 | 2.050 |
Rmerge | 0.031 | 0.758 | |
Rmeas | 0.092 | 0.040 | 0.882 |
Rpim | 0.034 | 0.015 | 0.323 |
Number of reflections | 11323 | ||
<I/σ(I)> | 14.6 | 16 | 1 |
Completeness [%] | 99.6 | 98 | 97.9 |
Redundancy | 7.4 | 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 |