3AJA
Crystal Structure of MSMEG_6394
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97941, 0.97930, 0.96411 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 130.434, 130.434, 209.533 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.170 - 2.900 |
| R-factor | 0.21488 |
| Rwork | 0.213 |
| R-free | 0.24973 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.508 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.080 | 0.800 |
| Number of reflections | 20363 | |
| <I/σ(I)> | 11.3 | 1.8 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6.4 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 294 | 2.1M sodium formate, 0.1M BisTris-propane, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
