3TQW
Structure of a ABC transporter, periplasmic substrate-binding protein from Coxiella burnetii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-21 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 96.787, 112.216, 100.236 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.588 - 2.000 |
R-factor | 0.171 |
Rwork | 0.170 |
R-free | 0.19520 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.920 |
Data reduction software | DENZO |
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 | 2.030 |
High resolution limit [Å] | 2.000 | 5.420 | 2.000 |
Rmerge | 0.083 | 0.038 | 0.405 |
Number of reflections | 37071 | ||
<I/σ(I)> | 8.5 | ||
Completeness [%] | 99.8 | 97.2 | 100 |
Redundancy | 7.1 | 6.9 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.1M sodium cacodylate, 2M ammonium sulphate, 0.2M sodium chloride, pH 6.5, vapor diffusion, sitting drop, temperature 277K |