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