5ID4
Crystal structure of Proteus mirabilis ScsC in an extended 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 | 2015-12-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 86.745, 86.745, 330.858 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.363 - 2.921 |
| R-factor | 0.2512 |
| Rwork | 0.251 |
| R-free | 0.26340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4YX8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.172 |
| 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] | 110.290 | 110.290 | 3.080 |
| High resolution limit [Å] | 2.920 | 9.240 | 2.920 |
| Rmerge | 0.059 | 0.038 | 0.554 |
| Rmeas | 0.068 | 0.044 | 0.632 |
| Rpim | 0.033 | 0.022 | 0.302 |
| Total number of observations | 44513 | 1200 | 6606 |
| Number of reflections | 10755 | ||
| <I/σ(I)> | 14.2 | 33.6 | 2.8 |
| Completeness [%] | 99.4 | 91.7 | 99.8 |
| Redundancy | 4.1 | 3.4 | 4.3 |
| CC(1/2) | 0.998 | 0.997 | 0.970 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 32% Jeffamine M-600 pH 7, 0.1 M HEPES pH 8, 2.5 mM Copper(II) chloride |
