2RBL
High resolution design of a protein loop
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 137.200, 137.200, 86.682 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.25 |
| Rwork | 0.250 |
| R-free | 0.30000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ten |
| RMSD bond length | 0.042 |
| RMSD bond angle | 3.330 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.054 | 0.466 |
| Number of reflections | 15770 | |
| <I/σ(I)> | 15.1 | 1.1 |
| Completeness [%] | 86.0 | 60.3 |
| Redundancy | 17.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3 | 298 | 2.0 M Ammonium Sulfate, pH = 3.0, 10% additive 0.1 M cupric chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
