5KTO
Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with bound quinolinate and Fe4S4 cluster
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97924 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.900, 52.424, 55.313 |
| Unit cell angles | 90.00, 115.79, 90.00 |
Refinement procedure
| Resolution | 34.114 - 1.442 |
| R-factor | 0.1426 |
| Rwork | 0.140 |
| R-free | 0.18900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5ktn |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.733 |
| 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] | 35.000 | 1.490 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.045 | 0.406 |
| Number of reflections | 44518 | |
| <I/σ(I)> | 18.5 | 3.3 |
| Completeness [%] | 95.9 | 81.8 |
| Redundancy | 3.7 | 3.3 |
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. Quinolinic acid, pH 7.5, was added to the protein solution to a final concentration of 5 mM. |
