1TIQ
Crystal Structure of an Acetyltransferase (PaiA) in complex with CoA and DTT from Bacillus subtilis, Northeast Structural Genomics Target SR64.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-29 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97922 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 39.870, 135.825, 132.395 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.750 - 1.900 |
| R-factor | 0.241 |
| Rwork | 0.206 |
| R-free | 0.24100 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB (then SOLVE/RESOLVE) |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.750 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.241 |
| Number of reflections | 52543 | |
| <I/σ(I)> | 23.8 | 6.5 |
| Completeness [%] | 96.0 | 89.2 |
| Redundancy | 7.8 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 100mM (Na)3 citrate (pH 5.6), 100mM K/Na tartrate, 2M ammonium sulfate, 10mM spermidine, 30mM AcetylCoA, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
