3M13
Crystal Structure of the Lys265Arg PEG-crystallized mutant of monomeric sarcosine oxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.90 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 99.296, 69.298, 111.427 |
| Unit cell angles | 90.00, 93.40, 90.00 |
Refinement procedure
| Resolution | 29.200 - 2.100 |
| R-factor | 0.19 |
| Rwork | 0.187 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.984 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.180 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.072 | 0.475 |
| Number of reflections | 83978 | |
| <I/σ(I)> | 21 | 3.2 |
| Completeness [%] | 95.3 | 96 |
| Redundancy | 5.9 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 298 | 20% PEG4000, 200 mM sodium acetate, 100 mM Tris HCL, pH 8.5, vapor diffusion, temperature 298K |
