6JFC
Actinonin bound crystal structure of class I type b peptide deformylase from Pseudomonas aeruginosa
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 | 2017-05-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97950 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 44.020, 122.634, 148.142 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.990 - 2.040 |
R-factor | 0.2053 |
Rwork | 0.203 |
R-free | 0.25050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jf9 |
RMSD bond length | 0.019 |
RMSD bond angle | 2.011 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.080 |
High resolution limit [Å] | 2.040 | 5.540 | 2.040 |
Rmerge | 0.162 | 0.118 | 0.481 |
Rmeas | 0.186 | 0.136 | 0.555 |
Rpim | 0.089 | 0.067 | 0.269 |
Number of reflections | 25281 | 1290 | 1195 |
<I/σ(I)> | 15.4 | ||
Completeness [%] | 97.1 | 90.9 | 94.5 |
Redundancy | 4.8 | 4.7 | 4.2 |
CC(1/2) | 0.950 | 0.789 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 8 | 287 | 0.03 M CaCl2, 0.03 M MgCl2, 0.1 M Sodium Hepes, MOPS pH 8.0, 10.0% (v/v) MPD, 10.0% (w/v) P1k, 10.0% (w/v) PEG 3,350 |