6LAY
Domain-swapped dimer structure of a Single-chain Monellin loop1-delta4-QVVAG mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-X |
| Temperature [K] | 80 |
| Detector technology | IMAGE PLATE |
| Collection date | 2019-04-08 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5478 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.170, 73.790, 45.990 |
| Unit cell angles | 90.00, 100.02, 90.00 |
Refinement procedure
| Resolution | 45.289 - 3.001 |
| R-factor | 0.2099 |
| Rwork | 0.207 |
| R-free | 0.26270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o9u |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.290 | 45.290 | 3.180 |
| High resolution limit [Å] | 3.000 | 9.000 | 3.000 |
| Rmerge | 0.098 | 0.046 | 0.253 |
| Rmeas | 0.109 | 0.051 | 0.282 |
| Rpim | 0.047 | 0.023 | 0.122 |
| Total number of observations | 21231 | 799 | 3383 |
| Number of reflections | 4033 | 163 | 641 |
| <I/σ(I)> | 12.5 | 21.4 | 5.9 |
| Completeness [%] | 100.0 | 99.3 | 100 |
| Redundancy | 5.3 | 4.9 | 5.3 |
| CC(1/2) | 0.996 | 0.998 | 0.943 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 20% PEG 3350, 0.2mM sodium acetate ,Tris HCl pH 8.5 |
