7EPG
Crystal structure of E.coli CcdB mutant S12G
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-X |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2019-06-27 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 35.570, 36.530, 67.528 |
| Unit cell angles | 90.00, 93.69, 90.00 |
Refinement procedure
| Resolution | 33.690 - 1.631 |
| Rwork | 0.228 |
| R-free | 0.26940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vub |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.484 |
| Data reduction software | MOSFLM (7.2.2) |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.690 | 1.720 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.083 | 0.195 |
| Rmeas | 0.093 | 0.218 |
| Rpim | 0.041 | 0.097 |
| Number of reflections | 9822 | 1360 |
| <I/σ(I)> | 9.8 | 4.8 |
| Completeness [%] | 90.6 | 86.9 |
| Redundancy | 4.9 | 4.9 |
| CC(1/2) | 0.995 | 0.967 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.15 M CaCl2.2H2O, 20% PEG 3350 |
