3GCN
Crystal structure of DegS H198P/D320A mutant modified by DFP in complex with OMP peptide (YQF)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-10-01 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 3 |
Unit cell lengths | 119.030, 119.030, 119.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.869 - 3.002 |
R-factor | 0.215 |
Rwork | 0.213 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.670 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.110 |
High resolution limit [Å] | 3.000 | 6.460 | 3.000 |
Rmerge | 0.134 | 0.053 | |
Number of reflections | 11504 | ||
<I/σ(I)> | 34.362 | ||
Completeness [%] | 99.9 | 98.9 | 100 |
Redundancy | 40.6 | 40.9 | 37.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 3% PEG 3350, 100 mM Bis-Tris propane, 50 mM NaF, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |