7ULR
recombinant kappa-bungarotoxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-03-28 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 1 |
| Unit cell lengths | 27.090, 30.990, 39.430 |
| Unit cell angles | 70.44, 75.97, 71.94 |
Refinement procedure
| Resolution | 36.710 - 1.800 |
| R-factor | 0.1666 |
| Rwork | 0.165 |
| R-free | 0.19010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kba |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.008 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.710 | 1.810 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.047 | 0.092 |
| Rmeas | 0.067 | 0.130 |
| Rpim | 0.047 | 0.092 |
| Number of reflections | 19608 | 574 |
| <I/σ(I)> | 13.5 | 8.6 |
| Completeness [%] | 93.0 | 86.3 |
| Redundancy | 4 | 3.9 |
| CC(1/2) | 0.997 | 0.983 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 117 mg/ml in 200 mM NH4Ac, pH 7.0, 1:1 with 0.15 M DL-malic acid pH 7.0, 20% PEG 3350 at 4 degree centigrade |
