3GYO
Se-Met Rtt106p
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Wavelength(s) | 0.9792, 0.9790, 0.9600 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 262.498, 262.498, 262.498 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.100 |
| R-factor | 0.217 |
| Rwork | 0.215 |
| R-free | 0.26000 |
| Structure solution method | MAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.742 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 6.670 | 3.100 |
| Rmerge | 0.103 | 0.050 | 0.389 |
| Number of reflections | 14605 | ||
| <I/σ(I)> | 28.684 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 18 | 15.9 | 18.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 285 | 1.5M DL-malic, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
