3TP9
Crystal structure of Alicyclobacillus acidocaldarius protein with beta-lactamase and rhodanese domains
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 169.335, 169.335, 77.797 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.860 - 2.700 |
| R-factor | 0.20475 |
| Rwork | 0.203 |
| R-free | 0.25403 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.208 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.109 | 0.740 |
| Number of reflections | 30955 | |
| <I/σ(I)> | 17.1 | 2.5 |
| Completeness [%] | 97.6 | 96.9 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.1 M Tris/HCl, 0.7 M sodium citrate tribasic, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
