3LNB
Crystal Structure Analysis of Arylamine N-acetyltransferase C from Bacillus anthracis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 53.990, 53.990, 172.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.760 - 2.010 |
| Rwork | 0.203 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e2t |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNS (1.2) |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.200 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.062 | 0.202 |
| Number of reflections | 17034 | |
| <I/σ(I)> | 20.45 | 7.91 |
| Completeness [%] | 94.0 | 75.7 |
| Redundancy | 5.68 | 4.24 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 294 | 1.8-1.9M Ammonium sulfate, 0.17M-0.2M potassium nitrate, VAPOR DIFFUSION, temperature 294K |
