3KE8
Crystal structure of IspH:HMBPP-complex
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 | 2009-10-07 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.890, 80.660, 111.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 9.990 - 1.700 |
| R-factor | 0.241 |
| Rwork | 0.241 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB Entyy 3DNF |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.068 | 0.294 |
| Number of reflections | 70171 | |
| <I/σ(I)> | 17.1 | 5.4 |
| Completeness [%] | 99.6 | 99.4 |
| Redundancy | 7.9 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M Bis-Tris, 0.2M Li2SO4, 25% PEG 33350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
