1YVK
Crystal Structure of the Bacillis subtilis Acetyltransferase in complex with CoA, Northeast Structural Genomics Target SR237.
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-07 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97927 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 59.596, 124.425, 216.942 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 3.010 |
R-factor | 0.243 |
Rwork | 0.243 |
R-free | 0.28400 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SnB |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.108 | 0.448 |
Number of reflections | 29334 | |
<I/σ(I)> | 14.01 | 2.32 |
Completeness [%] | 95.7 | 77.6 |
Redundancy | 5.8 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 100 mM Tris-HCl (pH 8.5), 20% PEG 4K, 200 mM sodium acetate, 100 mM ammonium sulfate, 2 mM Acetyl-CoA, and 5 mM DTT., VAPOR DIFFUSION, HANGING DROP, temperature 293K |