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 |
