7EPI
Crystal structure of E.coli CcdB mutant S60E
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2020-12-30 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 74.810, 36.640, 35.670 |
| Unit cell angles | 90.00, 114.97, 90.00 |
Refinement procedure
| Resolution | 9.996 - 1.931 |
| Rwork | 0.170 |
| R-free | 0.21350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vub |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.325 |
| Data reduction software | MOSFLM (7.2.2) |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 2.030 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.130 | 0.424 |
| Rmeas | 0.154 | 0.504 |
| Rpim | 0.081 | 0.268 |
| Number of reflections | 6557 | 890 |
| <I/σ(I)> | 9.6 | 3.8 |
| Completeness [%] | 97.5 | 91.6 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.990 | 0.801 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 291 | 200mM CaCl2, 10% PEG 3350 |
