5SY4
Atomic resolution structure of reduced E. coli YajL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-06-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.73 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.875, 78.313, 99.434 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.520 - 0.980 |
| R-factor | 0.11427 |
| Rwork | 0.114 |
| R-free | 0.12660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ab0 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.937 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 1.000 |
| High resolution limit [Å] | 0.980 | 0.980 |
| Rmerge | 0.085 | 2.393 |
| Number of reflections | 191363 | |
| <I/σ(I)> | 15.9 | 1.1 |
| Completeness [%] | 97.6 | 96 |
| Redundancy | 10.2 | 9.5 |
| CC(1/2) | 1.000 | 0.479 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | polyethylene glycol 4000, Tris HCl, magnesium chloride |
