3SC0
Crystal Structure of MMACHC (1-238), a human B12 processing enzyme, complexed with MethylCobalamin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-29 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03299 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 105.955, 105.955, 84.253 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.293 - 1.950 |
| R-factor | 0.1889 |
| Rwork | 0.186 |
| R-free | 0.24410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sby |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.552 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6_289) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.082 | 0.049 | 0.672 |
| Number of reflections | 22478 | ||
| <I/σ(I)> | 11.2 | ||
| Completeness [%] | 99.8 | 99.1 | 98.5 |
| Redundancy | 6.9 | 7.1 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 277 | 2.0 M ammonium sulfate, and 0.1 M Tris.HCl pH 8.5, vapor diffusion, temperature 277K |
