5CDH
Structure of Legionella pneumophila Histidine Acid Phosphatase complexed with L(+)-tartrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97903 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 217.889, 134.274, 135.780 |
| Unit cell angles | 90.00, 127.46, 90.00 |
Refinement procedure
| Resolution | 42.882 - 2.001 |
| R-factor | 0.1884 |
| Rwork | 0.186 |
| R-free | 0.22390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3it1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.971 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.079 | 0.040 | 0.451 |
| Total number of observations | 745974 | ||
| Number of reflections | 207120 | ||
| <I/σ(I)> | 10.2 | ||
| Completeness [%] | 99.6 | 99.9 | 98.6 |
| Redundancy | 3.6 | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% (w/v) PEG 3350 and 0.2 M sodium acetate |
