1UN2
Crystal structure of circularly permuted CPDSBA_Q100T99: Preserved Global Fold and Local Structural Adjustments
Replaces: 1DYVExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Collection date | 1999-04-08 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.760, 52.590, 53.730 |
| Unit cell angles | 90.00, 103.23, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.211 |
| Rwork | 0.206 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a2j |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.027 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.480 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.056 | 0.099 |
| Total number of observations | 37723 * | |
| Number of reflections | 7952 | |
| <I/σ(I)> | 17.4 | 6.4 |
| Completeness [%] | 99.0 | 98.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 291 * | 25% PEG 8000, 7-10% DMSO, 0.1M NA CACODYLATE PH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | reservoir | PEG8000 | 25 (%) | |
| 3 | 1 | reservoir | DMSO | 7-10 (%) | |
| 4 | 1 | reservoir | cacodylate | 0.1 (M) | pH6.5 |
