6JFA

Met-Ala-Ser 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	44.815, 122.826, 143.978
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.670 - 1.930
R-factor	0.2383
Rwork	0.236
R-free	0.28840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jf9
RMSD bond length	0.010
RMSD bond angle	1.767
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	1.960
High resolution limit [Å]	1.930	5.240	1.930
Rmerge	0.098	0.059	0.384
Rmeas	0.108	0.064	0.455
Rpim	0.043	0.025	0.236
Number of reflections	29554	1553	1380
<I/σ(I)>	16.3
Completeness [%]	97.3	92.9	93.3
Redundancy	4.9	6.4	2.9
CC(1/2)		0.994	0.745

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