1VS1
Crystal structure of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (DAHP synthase) from Aeropyrum pernix in complex with Mn2+ and PEP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.92015 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.768, 130.404, 78.362 |
| Unit cell angles | 90.00, 110.61, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.17562 |
| Rwork | 0.173 |
| R-free | 0.21754 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | FRAGMENT OF PDB ENTRY 1RZM |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.666 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.700 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.093 | 0.344 |
| Number of reflections | 47755 | |
| <I/σ(I)> | 19.2 | 8.6 |
| Completeness [%] | 90.7 | 46 |
| Redundancy | 7.4 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1 M HEPES, 0.2 M lithium sulfate, 0.2 M magnesium chloride, 30% v/v 2-propanol, 10% v/v butanol |
