6JFD
K1U 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 | 2017-06-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97960 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.330, 146.356, 65.306 |
Unit cell angles | 90.00, 109.90, 90.00 |
Refinement procedure
Resolution | 49.990 - 2.400 |
R-factor | 0.2282 |
Rwork | 0.225 |
R-free | 0.28350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jf9 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.692 |
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 | 2.440 |
High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
Rmerge | 0.104 | 0.064 | 0.446 |
Rmeas | 0.117 | 0.070 | 0.540 |
Rpim | 0.052 | 0.028 | 0.296 |
Number of reflections | 29213 | 1525 | 1373 |
<I/σ(I)> | 11.8 | ||
Completeness [%] | 95.1 | 97.4 | 89.4 |
Redundancy | 4.1 | 5.9 | 2.6 |
CC(1/2) | 0.996 | 0.245 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 8 | 287 | 0.03M CaCl2, 0.03M MgCl2, 0.1M Sodium Hepes, MOPS pH 8.0, 10.0%(v/v) MPD, 10.0%(w/v) P1k, 10.0%(w/v) PEG 3,350 |