6L91
X-ray structure of synthetic GB1 domain with the mutation K10(DVA).
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 | 2018-07-23 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 45.690, 45.690, 47.611 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.398 - 1.842 |
| R-factor | 0.1674 |
| Rwork | 0.166 |
| R-free | 0.18650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qmt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.792 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.610 | 1.880 |
| High resolution limit [Å] | 1.840 | 1.842 |
| Rmerge | 0.025 | 0.042 |
| Rmeas | 0.027 | 0.047 |
| Rpim | 0.010 | 0.021 |
| Total number of observations | 36249 | |
| Number of reflections | 5245 | 313 |
| <I/σ(I)> | 58.3 | |
| Completeness [%] | 99.7 | 95.8 |
| Redundancy | 6.9 | 4.8 |
| CC(1/2) | 1.000 | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 294 | 0.1M NaCacodylate (pH 5.5), 20% PEG 4000 |
