4U3Q
Crystal Structure of Recombinant TP0435 from Treponema pallidum
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 | 2010-12-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97912 |
| Spacegroup name | H 3 |
| Unit cell lengths | 85.682, 85.682, 85.376 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.002 - 2.400 |
| R-factor | 0.2352 |
| Rwork | 0.231 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lhn |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.654 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
| Rmerge | 0.048 | 0.031 | 0.549 |
| Total number of observations | 48918 | ||
| Number of reflections | 9033 | ||
| <I/σ(I)> | 14.9 | 1.75 | |
| Completeness [%] | 99.2 | 99.6 | 89.1 |
| Redundancy | 5.4 | 5.7 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 40% (v/v) PEG 400, 0.2 M lithium sulfate, 0.1 M Tris |
