5IDR
Crystal structure of Proteus Mirabilis ScsC in a transitional conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | I 4 |
| Unit cell lengths | 193.054, 193.054, 105.806 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.817 - 2.562 |
| R-factor | 0.1734 |
| Rwork | 0.171 |
| R-free | 0.22160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4YX8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.047 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.8) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.817 | 136.510 | 2.700 |
| High resolution limit [Å] | 2.560 | 8.100 | 2.560 |
| Rmerge | 0.083 | 0.023 | 0.725 |
| Rmeas | 0.096 | 0.027 | 0.837 |
| Rpim | 0.047 | 0.013 | 0.415 |
| Total number of observations | 254817 | 7933 | 36519 |
| Number of reflections | 62124 | ||
| <I/σ(I)> | 14.9 | 50.5 | 2.4 |
| Completeness [%] | 99.4 | 98.7 | 99.3 |
| Redundancy | 4.1 | 3.9 | 4.1 |
| CC(1/2) | 0.997 | 0.998 | 0.703 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293.15 | 2.85 M Sodium malonate pH 5.8, 0.1 M Copper(II) chloride |
