3NYQ
Malonyl-CoA Ligase Ternary Product Complex with Methylmalonyl-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 | 73.376, 86.786, 153.391 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.700 - 1.430 |
R-factor | 0.1962 |
Rwork | 0.195 |
R-free | 0.21612 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.770 |
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] | 76.700 | 1.450 |
High resolution limit [Å] | 1.430 | 1.430 |
Number of reflections | 91903 | |
<I/σ(I)> | 15.5 | 3.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 298 | 33% PEG 4000, 0.1M magnesium chloride, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |