5HW2
Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with fumaric acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792060 |
| Spacegroup name | P 43 |
| Unit cell lengths | 88.680, 88.680, 255.665 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.432 - 2.054 |
| R-factor | 0.1919 |
| Rwork | 0.188 |
| R-free | 0.24520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4eei |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.498 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 5.560 | 2.050 |
| Rmerge | 0.100 | 0.041 | 0.617 |
| Rmeas | 0.110 | 0.044 | 0.679 |
| Rpim | 0.043 | 0.016 | 0.276 |
| Total number of observations | 683828 | ||
| Number of reflections | 120165 | ||
| <I/σ(I)> | 8.5 | ||
| Completeness [%] | 98.5 | 99.5 | 98.6 |
| Redundancy | 5.7 | 7.1 | 5.5 |
| CC(1/2) | 0.998 | 0.815 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 289 | 1.5 M Sodium/potassium phosphate |
