4ZK6
Crystallographic Capture of Quinolinate Synthase (NadA) from Pyrococcus horikoshii in its Substrates and Product-Bound States
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2014-06-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.85 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.562, 51.588, 97.541 |
| Unit cell angles | 90.00, 94.95, 90.00 |
Refinement procedure
| Resolution | 48.589 - 1.895 |
| R-factor | 0.1859 |
| Rwork | 0.184 |
| R-free | 0.23050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wzu |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.879 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.895 | 1.900 |
| Rmerge | 0.085 | 0.891 |
| Number of reflections | 41502 | |
| <I/σ(I)> | 10.14 | 1.3 |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 0.2 M ammonium acetate, 0.1 M sodium acetate, pH 4.6, 30% PEG 4000, 10 mM QA |
