4XDR
Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, a bifunctional FMN transferase/FAD pyrophosphatase, D284A mutant, ADN 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 | 2012-04-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 116.834, 46.792, 57.725 |
Unit cell angles | 90.00, 102.56, 90.00 |
Refinement procedure
Resolution | 28.163 - 1.400 |
R-factor | 0.1728 |
Rwork | 0.172 |
R-free | 0.19590 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4ifu |
RMSD bond length | 0.014 |
RMSD bond angle | 1.418 |
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 | 1.420 |
High resolution limit [Å] | 1.400 | 3.800 | 1.400 |
Rmerge | 0.046 | 0.026 | 0.545 |
Total number of observations | 230801 | ||
Number of reflections | 59272 | ||
<I/σ(I)> | 14.6 | ||
Completeness [%] | 99.3 | 95.7 | 95.6 |
Redundancy | 3.9 | 3.9 | 3.2 |
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; |