5KTP
Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with bound itaconate and Fe4S4 cluster
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-26 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97790 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.477, 52.671, 55.686 |
| Unit cell angles | 90.00, 112.41, 90.00 |
Refinement procedure
| Resolution | 19.625 - 1.542 |
| R-factor | 0.1571 |
| Rwork | 0.155 |
| R-free | 0.19770 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5ktn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.842 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX ((1.10_2155: 000)) |
| Refinement software | PHENIX ((1.10_2155: 000)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.600 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.046 | 0.216 |
| Number of reflections | 36334 | |
| <I/σ(I)> | 16.3 | 4.9 |
| Completeness [%] | 96.8 | 91.8 |
| Redundancy | 3.4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 296 | 210 mM ammonium chloride, 8 - 15% polyethylene glycol 4000, and 40 mM HEPES, pH 5.5 - 7.5. Itaconic acid, pH 6.0, was added to the cryopreservation solution to a final concentration of 7 mM |
