8F9J
H64A swMb-PrNO 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 | 2017-09-15 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 6 |
| Unit cell lengths | 90.590, 90.590, 45.376 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.750 |
| R-factor | 0.1657 |
| Rwork | 0.164 |
| R-free | 0.19180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ile |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.922 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 4.750 | 1.750 |
| Rmerge | 0.052 | 0.038 | 0.123 |
| Rmeas | 0.057 | 0.043 | 0.148 |
| Rpim | 0.024 | 0.019 | 0.080 |
| Total number of observations | 107327 | ||
| Number of reflections | 21393 | 1139 | 967 |
| <I/σ(I)> | 11.8 | ||
| Completeness [%] | 98.8 | 99.7 | 88.6 |
| Redundancy | 5 | 4.4 | 2.8 |
| CC(1/2) | 0.999 | 0.977 |
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 |
