3SOM
crystal structure of human MMACHC
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-05-27 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.96860, 0.97880 |
| Spacegroup name | P 1 |
| Unit cell lengths | 71.664, 71.960, 300.055 |
| Unit cell angles | 88.53, 85.25, 83.76 |
Refinement procedure
| Resolution | 19.860 - 2.400 |
| R-factor | 0.1829 |
| Rwork | 0.182 |
| R-free | 0.20560 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.270 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.860 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.193 | 0.915 |
| Number of reflections | 229004 | |
| <I/σ(I)> | 8.6 | 2.1 |
| Completeness [%] | 98.6 | 98 |
| Redundancy | 7.2 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5 | 293 | 10(w/v) PEG_3350, 0.2M ammonium citrate pH 5.0, VAPOR DIFFUSION, temperature 293K |
