6JET
Actinonin bound crystal structure of class I type a peptide deformylase from Acinetobacter baumannii
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 | PIXEL |
Collection date | 2015-05-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97960 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.666, 112.903, 43.678 |
Unit cell angles | 90.00, 102.85, 90.00 |
Refinement procedure
Resolution | 49.990 - 2.600 |
R-factor | 0.2496 |
Rwork | 0.247 |
R-free | 0.29510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jer |
RMSD bond length | 0.012 |
RMSD bond angle | 1.696 |
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 | 2.440 |
High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
Rmerge | 0.108 | 0.088 | 0.220 |
Rmeas | 0.117 | 0.095 | 0.236 |
Rpim | 0.043 | 0.036 | 0.085 |
Number of reflections | 16034 | 826 | 801 |
<I/σ(I)> | 21.8 | ||
Completeness [%] | 99.8 | 98.2 | 100 |
Redundancy | 7.5 | 7.2 | 7.6 |
CC(1/2) | 0.990 | 0.974 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 8.5 | 287 | 0.03 M MgCl2, 0.03 M CaCl2, 15% (v/v) PEGMME, 15% (w/v) PEG 20000, 0.1 M Tris (base)/ Bicine pH 8.5 |