4XDT
Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, a bifunctional FMN transferase/FAD pyrophosphatase, N55Y mutant, FAD 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 | 2012-11-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97934 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 116.777, 46.992, 57.566 |
Unit cell angles | 90.00, 102.21, 90.00 |
Refinement procedure
Resolution | 28.534 - 1.452 |
R-factor | 0.1687 |
Rwork | 0.167 |
R-free | 0.19670 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4ifu |
RMSD bond length | 0.024 |
RMSD bond angle | 1.314 |
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 | 1.480 |
High resolution limit [Å] | 1.450 | 3.940 | 1.450 |
Rmerge | 0.050 | 0.025 | 0.530 |
Total number of observations | 224769 | ||
Number of reflections | 53283 | ||
<I/σ(I)> | 15.8 | ||
Completeness [%] | 98.9 | 95.3 | 89.4 |
Redundancy | 4.2 | 4.3 | 3 |
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; |