5KSR
Stationary phase survival protein E (SurE) from Xylella fastidiosa - XFSurE-TB (Tetramer Bigger).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-15 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.459 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 172.336, 84.170, 87.310 |
Unit cell angles | 90.00, 96.62, 90.00 |
Refinement procedure
Resolution | 43.248 - 1.960 |
R-factor | 0.1985 |
Rwork | 0.196 |
R-free | 0.23760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ty2 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.524 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.248 | 2.020 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.049 | 0.338 |
Number of reflections | 88536 | |
<I/σ(I)> | 17.27 | 4.8 |
Completeness [%] | 99.5 | 95.7 |
Redundancy | 4.77 | 4.34 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M bis-tris propane pH 7.5, 0.14 M Sodium iodide, 20% (W/V) PEG 3350, 5 mM dithiotheitol and 0.1 manganese II chloride. |