4S3D
IspG in complex with PPi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-28 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 111.020, 63.260, 86.530 |
| Unit cell angles | 90.00, 127.30, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.800 |
| R-factor | 0.144 |
| Rwork | 0.141 |
| R-free | 0.19152 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4s38 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.652 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.044 | 0.547 |
| Number of reflections | 43396 | |
| <I/σ(I)> | 14.9 | 2 |
| Completeness [%] | 97.5 | 97.8 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M BIS-TRIS PROPANE; 20% PEG3350; 0.2 M Na2SO4 , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
