3KMH
Crystal Structure of a Novel Sugar Isomerase from E. coli O157:H7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X3A |
| Synchrotron site | NSLS |
| Beamline | X3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-26 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97561 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.350, 75.315, 61.778 |
| Unit cell angles | 90.00, 106.29, 90.00 |
Refinement procedure
| Resolution | 29.500 - 1.580 |
| R-factor | 0.19246 |
| Rwork | 0.191 |
| R-free | 0.21252 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.073 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL2Map |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.660 |
| High resolution limit [Å] | 1.580 | 1.600 |
| Number of reflections | 62650 | |
| <I/σ(I)> | 32.1 | 5.7 |
| Completeness [%] | 98.4 | 97.6 |
| Redundancy | 7.3 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.65 | 298 | 10.5% PEG 550 MME, 10 mM Phenol, 0.1 M sodium acetate, pH 4.65, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
