4KGS
Backbone Modifications in the Protein GB1 Loops: beta-3-Val21, beta-3-Asp40
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-06 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 80.657, 35.660, 46.531 |
| Unit cell angles | 90.00, 120.44, 90.00 |
Refinement procedure
| Resolution | 28.269 - 1.950 |
| R-factor | 0.1759 |
| Rwork | 0.174 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 2QMT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.116 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 28.270 |
| High resolution limit [Å] | 1.950 |
| Rmerge | 0.078 |
| Number of reflections | 8453 |
| <I/σ(I)> | 7.8 |
| Completeness [%] | 99.6 |
| Redundancy | 6.08 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.1 M sodium acetate pH 4.6, 16% w/v PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
