6JFN

K4U 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	2018-02-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97960
Spacegroup name	C 2 2 21
Unit cell lengths	44.147, 122.026, 146.621
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.660 - 2.040
R-factor	0.2487
Rwork	0.246
R-free	0.29010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jf9
RMSD bond length	0.010
RMSD bond angle	1.727
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	0.178	0.113	0.496
Rmeas	0.187	0.119	0.532
Rpim	0.057	0.036	0.188
Number of reflections	25841	1400	1238
<I/σ(I)>	10.9
Completeness [%]	99.8	99.1	98.6
Redundancy	10.4	12	7
CC(1/2)		0.988	0.933

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