1K3S
Type III Secretion Chaperone SigE
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-07-03 |
Detector | BRANDEIS - B1.2 |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.497, 48.725, 94.532 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.2236 |
Rwork | 0.224 |
R-free | 0.27170 |
Structure solution method | MAD |
Starting model (for MR) | none |
RMSD bond length | 0.005 |
RMSD bond angle | 1.340 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.036 | 0.149 |
Number of reflections | 15558 | |
<I/σ(I)> | 17 | 3.1 |
Completeness [%] | 92.4 | 63 |
Redundancy | 11.2 | 9.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 1.8 sodium-potassium phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |