6JER

Apo crystal structure of class I type a peptide deformylase from Acinetobacter baumannii

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	2014-04-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97960
Spacegroup name	P 32
Unit cell lengths	39.425, 39.425, 187.888
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.170 - 2.400
R-factor	0.2238
Rwork	0.221
R-free	0.28910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s17
RMSD bond length	0.008
RMSD bond angle	1.677
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	0.095	0.059	0.392
Rmeas	0.116	0.073	0.461
Rpim	0.065	0.043	0.240
Number of reflections	18672	882	1009
<I/σ(I)>	12.9
Completeness [%]	97.6	91.6	99.9
Redundancy	3.4	2.9	3.7
CC(1/2)		0.987	0.890

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