3WVA
SeMet-labelled HcgF from Methanocaldococcus jannaschii
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-12-11 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.972, 0.9791, 0.9798 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.010, 72.730, 45.630 |
| Unit cell angles | 90.00, 102.61, 90.00 |
Refinement procedure
| Resolution | 37.980 - 1.400 |
| R-factor | 0.151 |
| Rwork | 0.149 |
| R-free | 0.19030 |
| Structure solution method | MAD |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.449 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.250 | |
| High resolution limit [Å] | 1.150 | 12.000 | 1.150 |
| Rmerge | 0.044 | 0.044 | 0.376 |
| Rmeas | 0.053 | 0.467 | |
| Number of reflections | 57849 | 96 | 19732 |
| <I/σ(I)> | 12.84 | 28.59 | 2.99 |
| Completeness [%] | 96.3 | 93.2 | 85.4 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 20%(w/v)PEG3000, 200mM sodium chloride, 100mM HEPES-NaOH, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
