3U0C
Crystal structure of N-terminal region of Type III Secretion First Translocator IpaB (residues 74-224)
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-08-24 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000,1.0719 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.419, 28.379, 104.806 |
Unit cell angles | 90.00, 95.99, 90.00 |
Refinement procedure
Resolution | 26.066 - 2.050 |
R-factor | 0.2478 |
Rwork | 0.245 |
R-free | 0.29450 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.066 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.085 | 0.425 |
Number of reflections | 18186 | |
<I/σ(I)> | 13.4 | 2.01 |
Completeness [%] | 91.7 | 59.3 |
Redundancy | 3.4 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 293 | 0.6 M sodium formate, 21% PEG2000 MME, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K |