3MPB
Z5688 from E. coli O157:H7 bound to fructose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-14 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97946 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.425, 75.699, 62.022 |
Unit cell angles | 90.00, 106.54, 90.00 |
Refinement procedure
Resolution | 34.270 - 1.910 |
R-factor | 0.19051 |
Rwork | 0.188 |
R-free | 0.23304 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kmh |
RMSD bond length | 0.010 |
RMSD bond angle | 1.284 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC (5.5.0109) |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.980 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.081 | 0.356 |
Number of reflections | 35627 | |
<I/σ(I)> | 29.4 | 4 |
Completeness [%] | 97.1 | 80.4 |
Redundancy | 6.8 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.65 | 298 | 10.5% PEG 550 MME, 0.1 M Sodium acetate, 0.01 M Mannose, pH 4.65, VAPOR DIFFUSION, HANGING DROP, temperature 298K |