1IAY
CRYSTAL STRUCTURE OF ACC SYNTHASE COMPLEXED WITH COFACTOR PLP AND INHIBITOR AVG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 123.100, 123.100, 106.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.290 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.109 | 0.445 |
| Total number of observations | 62671 * | |
| Number of reflections | 13199 | |
| <I/σ(I)> | 6 | |
| Completeness [%] | 97.6 | 76.2 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5.6 | 296 | 0.1 M Na citrate, 18% PEG3350, 50 mM MgCl2, 10% glycerol, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium citrate | 0.1 (M) | |
| 2 | 1 | reservoir | PEG3350 | 18 (%) | |
| 3 | 1 | reservoir | 50 (mM) | ||
| 4 | 1 | reservoir | ethylene glycol | 10 (%) |
