3NYR
Malonyl-CoA Ligase Ternary Product Complex with Malonyl-CoA and AMP bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 73.191, 86.628, 153.149 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.570 - 1.450 |
| R-factor | 0.20089 |
| Rwork | 0.200 |
| R-free | 0.22469 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.801 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (MR) |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.570 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 86148 | |
| <I/σ(I)> | 23.1 | 2.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.1 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 298 | 35% PEG 4000, 0.1M magnesium chloride, pH 8.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
