4NAL
Arabidopsis thaliana IspD in complex with tribromodichloro-pseudilin
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 | 2012-12-01 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 74.460, 74.460, 224.500 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.800 |
| R-factor | 0.20786 |
| Rwork | 0.205 |
| R-free | 0.24582 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nai |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.062 |
| 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 | 0.042 | 0.625 |
| Number of reflections | 22692 | |
| <I/σ(I)> | 27.2 | 4 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 50 mM HEPES, 50 mM CdSO4, 800 mM KAc, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
