7SCP
The crystal structure of ScoE in complex with intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97917 |
| Spacegroup name | P 42 |
| Unit cell lengths | 96.820, 96.820, 69.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.890 - 1.990 |
| R-factor | 0.2293 |
| Rwork | 0.227 |
| R-free | 0.25340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6l6x |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.442 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX (v1.18.2-3874) |
| Refinement software | PHENIX (v1.18.2-3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.890 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Number of reflections | 44184 | 3076 |
| <I/σ(I)> | 19.5 | |
| Completeness [%] | 99.4 | |
| Redundancy | 13.5 | |
| CC(1/2) | 0.999 | 0.725 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD 0.03 M of each divalent cation 0.1 M MOPS/HEPES-Na pH 7.5 |
