7FBG
Kinetic and structural analysis by Peptidoglycan editing factor from Bacillus cereus ATCC 14579
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-04-07 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.133, 75.141, 51.805 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.120 - 1.600 |
R-factor | 0.1812 |
Rwork | 0.179 |
R-free | 0.21480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6t0y |
RMSD bond length | 0.011 |
RMSD bond angle | 1.742 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.630 |
High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
Rmerge | 0.094 | 0.065 | 0.301 |
Rmeas | 0.101 | 0.071 | 0.336 |
Rpim | 0.038 | 0.028 | 0.146 |
Total number of observations | 177662 | ||
Number of reflections | 30421 | 1650 | 1496 |
<I/σ(I)> | 14.4 | ||
Completeness [%] | 98.9 | 97.9 | 99.1 |
Redundancy | 5.8 | 6.5 | 4.6 |
CC(1/2) | 0.994 | 0.914 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | PEG 400, Sodium HEPES, CaCl, ZnCl2 |