2PIS
Efforts toward Expansion of the Genetic Alphabet: Structure and Replication of Unnatural Base Pairs
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.92017, 0.9203, 0.9050 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 146.025, 146.025, 93.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.000 - 2.800 |
| R-factor | 0.22771 |
| Rwork | 0.224 |
| R-free | 0.30290 |
| Structure solution method | MAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.131 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.054 | 0.597 |
| Number of reflections | 12382 | |
| <I/σ(I)> | 40.58 | 3.73 |
| Completeness [%] | 97.8 | 88.5 |
| Redundancy | 15.3 | 12.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 35% (v/v) MPD in 0.1M sodium cacodylate , pH 6.0, VAPOR DIFFUSION, SITTING DROP |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | sodium cacodylate | ||
| 3 | 1 | 2 | MPD | ||
| 4 | 1 | 2 | sodium cacodylate |
