4X4V
Crystal structure of the A.fulgidus CCA-adding enzyme in complex with a human MenBeta minihelix ending in CCACC and AMPcPP
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 | 2013-03-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 111.059, 215.602, 58.629 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.680 - 2.600 |
| R-factor | 0.1868 |
| Rwork | 0.184 |
| R-free | 0.23720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.989 |
| 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 | 2.640 |
| High resolution limit [Å] | 2.600 | 7.030 | 2.600 |
| Rmerge | 0.093 | 0.040 | 0.384 |
| Total number of observations | 143132 | ||
| Number of reflections | 43940 | ||
| <I/σ(I)> | 7.1 | ||
| Completeness [%] | 98.5 | 96.2 | 90.9 |
| Redundancy | 3.3 | 3.1 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 290 | 23.2% PEG3350, 0.2M NaK tartrate, 0.1M MES pH 6.8 |
