5D4U
SAM-bound HcgC from Methanocaldococcus jannaschii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-01 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.290, 70.520, 91.230 |
| Unit cell angles | 90.00, 105.21, 90.00 |
Refinement procedure
| Resolution | 42.798 - 2.000 |
| R-factor | 0.1997 |
| Rwork | 0.198 |
| R-free | 0.22750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d4t |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.797 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 | |
| High resolution limit [Å] | 2.000 | 12.000 | 2.000 |
| Rmerge | 0.098 | 0.022 | 0.782 |
| Rmeas | 0.113 | 0.026 | 0.912 |
| Total number of observations | 280088 | ||
| Number of reflections | 71397 | 356 | 9655 |
| <I/σ(I)> | 12.66 | 46.69 | 2.26 |
| Completeness [%] | 99.6 | 96.7 | 99.2 |
| Redundancy | 2.7 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 281 | 2% (w/v) PEG8000, 0.5 M lithium sulfate |
