2IF6
Crystal structure of metalloprotein yiiX from Escherichia coli O157:H7, DUF1105
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2006-08-23 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97958 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.345, 152.594, 48.740 |
| Unit cell angles | 90.00, 92.67, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.18117 |
| Rwork | 0.179 |
| R-free | 0.23103 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.421 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.111 | 0.709 |
| Number of reflections | 40462 | |
| <I/σ(I)> | 12.1 | 2.3 |
| Completeness [%] | 93.2 | 79.9 |
| Redundancy | 5.1 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 294 | 100 mM Hepes pH 7.0, 30% Jeffamine ED-2001, VAPOR DIFFUSION, temperature 294K |
