4X4U
Crystal structure of the A.fulgidus CCA-adding enzyme in complex with a human MenBeta minihelix ending in CCACC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-05-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 114.988, 84.049, 135.524 |
| Unit cell angles | 90.00, 103.42, 90.00 |
Refinement procedure
| Resolution | 29.793 - 2.700 |
| R-factor | 0.1853 |
| Rwork | 0.183 |
| R-free | 0.23340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.805 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 7.300 | 2.700 |
| Rmerge | 0.075 | 0.052 | 0.367 |
| Total number of observations | 191792 | ||
| Number of reflections | 68272 | ||
| <I/σ(I)> | 8.9 | ||
| Completeness [%] | 97.6 | 95.6 | 92.8 |
| Redundancy | 2.8 | 2.8 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 18.9% PEG3350, 0.27M NaK tartrate |
