6JFF

K3U 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	2017-06-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97960
Spacegroup name	C 2 2 21
Unit cell lengths	44.682, 121.818, 146.314
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.810 - 2.100
R-factor	0.2091
Rwork	0.207
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jf9
RMSD bond length	0.018
RMSD bond angle	1.983
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	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.113	0.058	0.443
Rmeas	0.129	0.067	0.505
Rpim	0.061	0.032	0.237
Number of reflections	23373	1228	1134
<I/σ(I)>	10.4
Completeness [%]	97.9	93.5	98.4
Redundancy	4.1	4	4
CC(1/2)		0.989	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8	287	0.03M CaCl2, 0.03M 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