4XDU
Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein,a bifunctional FMN transferase/FAD pyrophosphatase, N55Y mutant, ADP bound form
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 | 2012-12-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 116.830, 46.814, 57.501 |
Unit cell angles | 90.00, 102.22, 90.00 |
Refinement procedure
Resolution | 24.535 - 1.350 |
R-factor | 0.1685 |
Rwork | 0.167 |
R-free | 0.18800 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.243 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.320 |
High resolution limit [Å] | 1.300 | 3.530 | 1.300 |
Rmerge | 0.048 | 0.025 | 0.509 |
Total number of observations | 269463 | ||
Number of reflections | 72901 | ||
<I/σ(I)> | 12.7 | ||
Completeness [%] | 97.0 | 99.3 | 64 |
Redundancy | 3.7 | 4.1 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M MES, 0.7 M sodium acetate, 0.1 M NaCl, 20% (v/v) ethylene glycol; |