5KTM
Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with a bound 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) | 0.97923 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.480, 52.877, 55.996 |
| Unit cell angles | 90.00, 111.72, 90.00 |
Refinement procedure
| Resolution | 42.221 - 1.440 |
| R-factor | 0.173 |
| Rwork | 0.171 |
| R-free | 0.21480 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5ktn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.790 |
| 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] | 50.000 | 1.490 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.040 | 0.269 |
| Number of reflections | 43765 | |
| <I/σ(I)> | 19.7 | 4.4 |
| Completeness [%] | 93.7 | 83.6 |
| Redundancy | 2.9 | 2.5 |
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. |
