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 |