5D5O
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 | 2012-08-13 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 142.250, 143.280, 148.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.326 - 2.700 |
| R-factor | 0.2191 |
| Rwork | 0.217 |
| R-free | 0.26280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.254 |
| 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 | 2.800 | |
| High resolution limit [Å] | 2.700 | 12.000 | 2.700 |
| Rmerge | 0.125 | 0.036 | 0.818 |
| Rmeas | 0.156 | 0.043 | 1.008 |
| Total number of observations | 405877 | ||
| Number of reflections | 149108 | 1535 | 15878 |
| <I/σ(I)> | 7.72 | 26.34 | 1.59 |
| Completeness [%] | 92.7 | 83.1 | 95.7 |
| Redundancy | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 27 % (v/v) PEG400, 45 mM Tris-HCl, 45 mM sodium sulfate, 45 mM lithium sulfate and 0.2 M 2,2,2-trifuloroethanol |
