4IP1
C-terminal domain of the thiol:disulfide interchange protein DsbD, Q488K mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-12-04 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.107, 51.530, 85.039 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.013 - 2.470 |
R-factor | 0.1962 |
Rwork | 0.193 |
R-free | 0.25510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fwf |
RMSD bond length | 0.003 |
RMSD bond angle | 0.659 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.560 |
High resolution limit [Å] | 2.470 | 2.470 |
Rmerge | 0.132 | 0.433 |
Number of reflections | 5345 | |
<I/σ(I)> | 9.1 | 1.98 |
Completeness [%] | 89.8 | 70 |
Redundancy | 4.1 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 277 | 21 mg/mL protein, 20% PEG4000, 0.1 M sodium citrate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |