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 |
