3DHV
Crystal structure of DltA protein in complex with D-alanine adenylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-11 |
| Detector | BRUKER SMART 6000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.700, 86.700, 57.400 |
| Unit cell angles | 90.00, 113.50, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.213 |
| Rwork | 0.213 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1amu |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.260 |
| Data reduction software | PROTEUM PLUS (PLUS) |
| Data scaling software | PROTEUM PLUS (PLUS) |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.074 | 0.265 |
| Number of reflections | 35392 | |
| <I/σ(I)> | 8 | 1.9 |
| Completeness [%] | 95.7 | 76.2 |
| Redundancy | 5.1 | 3.6 |
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 Magnesium chloride, 12% PEG 3350, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 294.0K |
