3U3N
Crystal structure of tablysin-15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.99999 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 69.598, 69.598, 86.132 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.265 - 1.651 |
| R-factor | 0.192 |
| Rwork | 0.190 |
| R-free | 0.22450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.964 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 4.480 | 1.650 |
| Rmerge | 0.062 | 0.030 | 0.517 |
| Number of reflections | 29066 | ||
| <I/σ(I)> | 11.9 | ||
| Completeness [%] | 98.5 | 99.6 | 99.9 |
| Redundancy | 13.9 | 13.5 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 10 % PEG 6000, 100 mM citrate, 13 mM praseodymium (III) acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
