6JFG
K1U bound crystal structure of class II peptide deformylase from methicillin resistant Staphylococcus aureus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-03-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97940 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 96.908, 120.320, 47.571 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.990 - 2.600 |
R-factor | 0.2016 |
Rwork | 0.199 |
R-free | 0.26530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lm4 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.800 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
High resolution limit [Å] | 2.600 | 7.050 | 2.600 |
Rmerge | 0.147 | 0.085 | 0.486 |
Rmeas | 0.166 | 0.095 | 0.573 |
Rpim | 0.076 | 0.042 | 0.297 |
Number of reflections | 8404 | 445 | 430 |
<I/σ(I)> | 11.5 | ||
Completeness [%] | 94.6 | 89.4 | 96 |
Redundancy | 4.2 | 5.2 | 3.2 |
CC(1/2) | 0.983 | 0.584 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 8.5 | 287 | 0.02M CaCl2, 0.1M MgCl2, 15% (v/v) Glycerol, 25% (w/v) PEG 4K, 0.05M Tris pH 8.5 |