3NE7
Crystal structure of paia n-acetyltransferase from thermoplasma acidophilum in complex with coenzyme a
Experimental procedure
| Experimental method | MOLECULAR REPLACEMENT |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-25 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 69.224, 69.224, 90.628 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.010 - 2.300 |
| R-factor | 0.187 |
| Rwork | 0.184 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f0a |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.601 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0051) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.010 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.151 | 0.832 |
| Number of reflections | 10296 | |
| <I/σ(I)> | 33.47 | 4 |
| Completeness [%] | 100.0 | 98.4 |
| Redundancy | 13.9 | 12.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 294 | 12% GLYCEROL, 1.5 M AMMONIUM SULFATE, 0.1 M TRIS, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
