2AMJ
Crystal Structure of Modulator of Drug Activity B from Escherichia coli O157:H7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-09-13 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.056, 86.510, 82.667 |
| Unit cell angles | 90.00, 93.85, 90.00 |
Refinement procedure
| Resolution | 46.000 - 1.800 |
| R-factor | 0.233 |
| Rwork | 0.233 |
| R-free | 0.26300 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.340 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.064 | 0.360 |
| Number of reflections | 61582 | |
| <I/σ(I)> | 18.3 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 298 | Magnesium Chloride, Tris HCl, PEG 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298 K, pH 8.50 |
