4EQ4
Crystal structure of seleno-methionine derivatized GH3.12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 90.865, 66.302, 100.451 |
| Unit cell angles | 90.00, 106.63, 90.00 |
Refinement procedure
| Resolution | 56.965 - 2.074 |
| R-factor | 0.2161 |
| Rwork | 0.214 |
| R-free | 0.25240 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.347 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHARP |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 2.200 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.816 | |
| Number of reflections | 134804 | |
| <I/σ(I)> | 6.7 | 1.9 |
| Completeness [%] | 99.5 | 97.7 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 20% PEG 3350, 0.25M ammonium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
