5KSS
Stationary phase survival protein E (SurE) from Xylella fastidiosa - XFSurE-Ds (Dimer Smaller)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE D03B-MX1 |
Synchrotron site | LNLS |
Beamline | D03B-MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-12 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.437 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 86.941, 80.118, 71.511 |
Unit cell angles | 90.00, 95.51, 90.00 |
Refinement procedure
Resolution | 43.944 - 2.820 |
R-factor | 0.2745 |
Rwork | 0.272 |
R-free | 0.32860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ty2 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.519 |
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] | 43.944 | 2.900 |
High resolution limit [Å] | 2.820 | 2.820 |
Rmerge | 0.112 | 0.504 |
Number of reflections | 9802 | |
<I/σ(I)> | 8.67 | 3.25 |
Completeness [%] | 88.5 | 82.5 |
Redundancy | 3.73 | 2.77 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M bis-tris propane pH 7.6, 0.13 M Sodium iodide, 16% (W/V) PEG 3350, 5 mM dithiotheitol and 0.5 manganese II chloride. |