4PZP
Substrate-free structure of D-alanine carrier protein ligase DltA from Bacillus cereus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-26 |
| Detector | Brukers Proteum |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.900, 81.900, 59.300 |
| Unit cell angles | 90.00, 108.30, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dhv |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.470 |
| 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] | 33.100 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.077 | 0.321 |
| Number of reflections | 32733 | |
| <I/σ(I)> | 7.53 | 1.8 |
| Completeness [%] | 86.3 | 37.7 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 294 | 0.1 M MgCl2,0.5 M KCl, 0.05 M HEPES-NAOH buffer, 16% 3350 , pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 294.0K |
