8F9N
H64A swMb-iPrNO adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 200 |
| Detector technology | PIXEL |
| Collection date | 2017-10-03 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 6 |
| Unit cell lengths | 90.577, 90.577, 45.404 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.1983 |
| Rwork | 0.197 |
| R-free | 0.22980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ile |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.107 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.010 | 1.864 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmeas | 0.145 | 0.638 |
| Rpim | 0.301 | |
| Number of reflections | 19658 | 1877 |
| <I/σ(I)> | 22.28 | |
| Completeness [%] | 97.9 | |
| Redundancy | 6.1 | |
| CC(1/2) | 0.670 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 298 | 2.3 - 2.6 M Ammonium Sulfate, 100 mM Tris-HCl, 1 mm EDTA, pH 7.4 |
