3WV8
ATP-bound HcgE from Methanothermobacter marburgensis
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 | 2013-06-30 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 63 |
| Unit cell lengths | 84.920, 84.920, 120.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.630 - 1.800 |
| R-factor | 0.195 |
| Rwork | 0.193 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zud |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.731 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 | |
| High resolution limit [Å] | 1.800 | 12.000 | 1.800 |
| Rmerge | 0.074 | 0.047 | 0.584 |
| Rmeas | 0.050 | 0.616 | |
| Number of reflections | 45607 | 167 | 12319 |
| <I/σ(I)> | 18.71 | 48.92 | 4.21 |
| Completeness [%] | 100.0 | 98.2 | 100 |
| Redundancy | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 35%(w/v)pentaerythritol ethoxylate 270, 200mM ammonium sulfate, 100mM sodium acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, 298K |
