6JEV

K2U bound crystal structure of class I type a peptide deformylase from Acinetobacter baumanii

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	2017-10-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97950
Spacegroup name	P 32
Unit cell lengths	40.062, 40.062, 188.271
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.580 - 1.900
R-factor	0.2014
Rwork	0.199
R-free	0.25630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jer
RMSD bond length	0.009
RMSD bond angle	1.696
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	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.176	0.111	0.494
Rmeas	0.202	0.125	0.611
Rpim	0.098	0.058	0.353
Total number of observations	89131
Number of reflections	25998	1304	1216
<I/σ(I)>	18.1
Completeness [%]	97.8	96.2	92.7
Redundancy	3.4	4.4	2.5
CC(1/2)		0.983	0.128

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	287	0.03 M MgCl2, 0.03 M CaCl2, 15% (v/v) PEGMME, 15% (w/v) PEG 20000, 0.1 M Tris (base)/ Bicine pH 8.5