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