2PFM
Crystal Structure of Adenylosuccinate Lyase (PurB) from Bacillus anthracis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00040 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 154.381, 154.381, 174.989 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.190 - 2.000 |
| R-factor | 0.16504 |
| Rwork | 0.163 |
| R-free | 0.20811 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c3c |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.560 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.125 | 0.753 |
| Number of reflections | 78074 | |
| Completeness [%] | 94.2 | 42.8 |
| Redundancy | 12.1 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 291 | Sodium malonate, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
