3FCE
Crystal Structure of Bacillus cereus D-alanyl Carrier Protein Ligase DltA in Complex with ATP: Implications for Adenylation Mechanism
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-25 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.400, 87.400, 57.400 |
| Unit cell angles | 90.00, 114.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.25200 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3dhv |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.260 |
| Data reduction software | PROTEUM PLUS (PLUS) |
| Data scaling software | PROTEUM PLUS (PLUS) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.306 |
| Number of reflections | 38547 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 87.6 | 44.7 |
| Redundancy | 6.4 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 294 | 0.05 M HEPES, 0.2 M POTASSIUM CHLORIDE, 0.1 M CALCIUM CHLORIDE, 16% PEG 3350, 21% sucrose, PH 7.2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 294K |
