4Q85
YcaO with Non-hydrolyzable ATP (AMPCPP) Bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| 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 | 2013-11-02 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 1 |
| Unit cell lengths | 110.282, 112.402, 130.683 |
| Unit cell angles | 89.40, 73.63, 77.62 |
Refinement procedure
| Resolution | 125.200 - 3.290 |
| R-factor | 0.19248 |
| Rwork | 0.190 |
| R-free | 0.23928 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.507 |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 125.200 | 3.300 |
| High resolution limit [Å] | 3.290 | 3.290 |
| Rmerge | 0.176 | |
| Number of reflections | 88591 | |
| <I/σ(I)> | 2.5 | 2.1 |
| Completeness [%] | 99.0 | 98.2 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 20% PEG 8,000 0.1 M magnesium acetate 0.1 M sodium cacodylate pH 6.5 6 mg/mL protein , VAPOR DIFFUSION, HANGING DROP, temperature 277K |
