3R8Y
Structure of the Bacillus anthracis tetrahydropicolinate succinyltransferase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2011-02-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 1 |
Unit cell lengths | 52.421, 52.219, 134.550 |
Unit cell angles | 97.41, 93.19, 115.71 |
Refinement procedure
Resolution | 29.406 - 1.700 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.22090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cj8 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.120 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MrBUMP/MolRep |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.099 | 0.066 | 0.624 |
Number of reflections | 142717 | ||
<I/σ(I)> | 13.6 | 19.2 | 2.3 |
Completeness [%] | 99.3 | 98.6 | 98.8 |
Redundancy | 5.7 | 6 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 20% PEG 3350, 200mM Calcium Chloride, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |