3PZC
Crystal structure of class II aaRS homologue (Bll0957) complexed with Coenzyme A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-01-28 |
Detector | OXFORD RUBY CCD |
Wavelength(s) | 1.54056 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 128.194, 101.791, 50.623 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.860 - 2.200 |
R-factor | 0.1698 |
Rwork | 0.167 |
R-free | 0.22280 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 1.041 |
Data reduction software | CrysalisPro |
Data scaling software | SCALA (CCP4_3.3.9) |
Phasing software | REFMAC (5.2) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.860 | 20.860 | 2.320 |
High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
Rmerge | 0.075 | 0.020 | 0.440 |
Total number of observations | 7576 | 15675 | |
Number of reflections | 32404 | ||
<I/σ(I)> | 15.6755 | ||
Completeness [%] | 99.8 | 96 | 99.89 |
Redundancy | 4.95 | 6.44 | 3.17 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 0.17M ammonium acetate, 0.085M sodium acetate trihydrate, 25.5% PEG 4000, 15% glycerol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |