2J0O
Shigella Flexneri IpaD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-12-04 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.867, 100.693, 111.993 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 3.000 |
R-factor | 0.235 |
Rwork | 0.235 |
Structure solution method | MIRAS |
RMSD bond length | 0.002 |
RMSD bond angle | 0.590 |
Data scaling software | SCALA |
Phasing software | SHARP |
Refinement software | TNT (5.6.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.140 | 0.480 |
Number of reflections | 14594 | |
<I/σ(I)> | 3.9 | 1.6 |
Completeness [%] | 90.1 | 68.2 |
Redundancy | 7 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 25-28 % (W/V) PEG 4000, 0.1 M TRIS-HCL, PH 8.5, 0.2 M MGCL2 |