3DA7
A conformationally strained, circular permutant of barnase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.972 |
| Spacegroup name | P 1 |
| Unit cell lengths | 38.879, 80.237, 81.922 |
| Unit cell angles | 88.10, 76.98, 79.47 |
Refinement procedure
| Resolution | 19.870 - 2.250 |
| R-factor | 0.207 |
| Rwork | 0.205 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1brs |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.064 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 4.630 | 2.150 |
| Rmerge | 0.109 | 0.050 | 0.392 |
| Number of reflections | 50783 | ||
| <I/σ(I)> | 17 | ||
| Completeness [%] | 96.0 | 92.5 | 95.2 |
| Redundancy | 3 | 2.9 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 1M Tris, 14% peg 8k, 150mM (NH4)2SO4, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
