3UWC
Structure of an aminotransferase (DegT-DnrJ-EryC1-StrS family) from Coxiella burnetii in complex with PMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-07 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 76.899, 76.899, 144.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.997 - 1.800 |
R-factor | 0.1683 |
Rwork | 0.167 |
R-free | 0.18750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3frk |
RMSD bond length | 0.006 |
RMSD bond angle | 0.964 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.830 |
High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
Rmerge | 0.064 | 0.037 | 0.611 |
Number of reflections | 40977 | ||
<I/σ(I)> | 10.7 | ||
Completeness [%] | 99.8 | 98.9 | 98.2 |
Redundancy | 9.8 | 10.7 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 1.6 M ammonium sulfate, 10% dioxane, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |