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. |