5KTR
Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with bound maleate and Fe4S4 cluster
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-18 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.91810 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.256, 52.605, 55.510 |
| Unit cell angles | 90.00, 111.70, 90.00 |
Refinement procedure
| Resolution | 28.615 - 1.340 |
| R-factor | 0.1265 |
| Rwork | 0.125 |
| R-free | 0.15640 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5ktn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.784 |
| 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 | 1.390 |
| High resolution limit [Å] | 1.340 | 1.340 |
| Rmerge | 0.062 | 0.205 |
| Number of reflections | 56427 | |
| <I/σ(I)> | 15.2 | 4.7 |
| Completeness [%] | 98.7 | 94.1 |
| Redundancy | 3 | 2 |
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. Maleic acid, pH 6.0, was added to the cryopreservation solution to a final concentration of 7 mM |
