5SVB
Mechanism of ATP-Dependent Acetone Carboxylation, Acetone Carboxylase AMP bound structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 89.928, 100.209, 441.384 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.623 - 2.645 |
R-factor | 0.1993 |
Rwork | 0.198 |
R-free | 0.22690 |
Structure solution method | SAD |
RMSD bond length | 0.003 |
RMSD bond angle | 0.518 |
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] | 39.623 | 2.700 |
High resolution limit [Å] | 2.645 | 2.650 |
Rmerge | 0.158 | 1.107 |
Number of reflections | 115356 | |
<I/σ(I)> | 13.2 | 1.8 |
Completeness [%] | 98.3 | 97.8 |
Redundancy | 6.5 | 5.8 |
CC(1/2) | 0.996 | 0.567 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 298 | 12-18%PEG 3350 and 0.2M MgSO4, pH and cryo was the addition of 15% glycerol |