6L9D
X-ray structure of synthetic GB1 domain with mutations K10(DVA), T11S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2019-07-24 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 43.569, 43.569, 48.158 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.298 - 1.730 |
| R-factor | 0.2202 |
| Rwork | 0.219 |
| R-free | 0.24270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qmt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.856 |
| Data reduction software | HKL-3000 |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.730 | 37.730 | 1.760 |
| High resolution limit [Å] | 1.730 | 8.990 | 1.730 |
| Rmerge | 0.045 | 0.028 | 0.333 |
| Rmeas | 0.046 | 0.030 | 0.350 |
| Rpim | 0.011 | 0.008 | 0.103 |
| Total number of observations | 93326 | 648 | 3221 |
| Number of reflections | 5814 | 57 | 296 |
| <I/σ(I)> | 39.5 | 67.1 | 5.5 |
| Completeness [%] | 99.7 | 99.6 | 95.1 |
| Redundancy | 16.1 | 11.4 | 10.9 |
| CC(1/2) | 1.000 | 0.999 | 0.976 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.1M Sodium Cacodylate (pH 6), 20% PEG 4000 |
