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 |