4S3C
IspG in complex with Epoxide Intermediate
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) | 0.971 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 110.930, 62.840, 86.200 |
| Unit cell angles | 90.00, 127.02, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.450 |
| R-factor | 0.12498 |
| Rwork | 0.123 |
| R-free | 0.16103 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4s38 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.778 |
| 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 | 1.550 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.037 | 0.481 |
| Number of reflections | 81686 | |
| <I/σ(I)> | 14.9 | 2.4 |
| Completeness [%] | 97.1 | 97.7 |
| 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 |
