6IL2

K4U complex structure of peptide deformylase from Xanthomonas oryzae pv. oryzae

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	2018-03-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97940
Spacegroup name	P 61 2 2
Unit cell lengths	58.531, 58.531, 266.212
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.900 - 2.410
R-factor	0.1939
Rwork	0.192
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e5d
RMSD bond length	0.018
RMSD bond angle	2.072
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0158)

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	0.184	0.120	0.485
Rmeas	0.189	0.123	0.509
Rpim	0.042	0.026	0.148
Number of reflections	11239	678	539
<I/σ(I)>	12
Completeness [%]	98.3	95.5	98.2
Redundancy	15.8	20.6	10.5
CC(1/2)		0.996	0.546

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	287	0.05M cadmium sulfate, 0.1M HEPES pH 7.5, 2.0M sodium acetate trihydrate