3URK
IspH in complex with propynyl diphosphate (1061)
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 | 2010-08-05 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.630, 80.570, 111.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.980 - 1.500 |
| R-factor | 0.16368 |
| Rwork | 0.161 |
| R-free | 0.21154 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ke8 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.323 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC (5.5.0072) |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.980 | 1.600 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.059 | 0.429 |
| Number of reflections | 102672 | |
| <I/σ(I)> | 13.7 | 4.2 |
| Completeness [%] | 99.0 | 97.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M BIS-TRIS, 0.2 M ammonia sulfate, 25% PEG3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
