2VBQ
Structure of AAC(6')-Iy in complex with bisubstrate analog CoA-S- monomethyl-acetylneamine.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 190 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU-MSC |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 84.964, 44.599, 88.387 |
Unit cell angles | 90.00, 93.92, 90.00 |
Refinement procedure
Resolution | 88.050 - 2.000 |
R-factor | 0.183 |
Rwork | 0.181 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.562 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.040 | 0.190 |
Number of reflections | 21649 | |
<I/σ(I)> | 16.9 | 4.5 |
Completeness [%] | 95.9 | 92.3 |
Redundancy | 2.4 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.75 | PROTEIN (15MG/ML, 10 MM TEA PH 8.0, 100 MM AMMONIUM SULFATE), PRECIPITANT (20 % PEG6000, 100 MM MES PH 5.75) VAPOUR DIFFUSION UNDER OIL |