4K7T
Structure of the ternary complex of bacitracin, zinc, and geranyl-pyrophosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.98 |
Spacegroup name | P 62 |
Unit cell lengths | 35.980, 35.980, 16.120 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 12.005 - 1.100 |
R-factor | 0.1284 |
Rwork | 0.127 |
R-free | 0.14930 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 2.051 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 12.005 | 20.000 | 1.160 |
High resolution limit [Å] | 1.100 | 3.240 | 1.100 |
Rmerge | 0.092 | 0.061 | 0.669 |
Number of reflections | 4983 | 363 | 1423 |
<I/σ(I)> | 16.69 | 38.78 | 4.1 |
Completeness [%] | 99.9 | 99.5 | 99.9 |
Redundancy | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | microbatch under oil | 6.5 | 291 | 20% PEG-2000 in 0.1 M sodium acetate pH 6.5, microbatch under oil, temperature 291K |