3IT3
Crystal Structure Francisella tularensis histidine acid phosphatase D261A mutant complexed with substrate 3'-AMP
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 | 2009-07-10 |
| Detector | Q315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 41 |
| Unit cell lengths | 61.646, 61.646, 211.439 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.630 - 1.500 |
| R-factor | 0.172 |
| Rwork | 0.172 |
| R-free | 0.18700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3it1 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.983 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.074 | 0.539 |
| Number of reflections | 125320 | |
| <I/σ(I)> | 7.7 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.5 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.05 - 0.2 M Bis-Tris buffer pH 5.0 - 6.5, 1.6 - 2.2 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
