6IL0

K3U 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	58.682, 58.682, 265.531
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.910 - 1.930
R-factor	0.1971
Rwork	0.195
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e5d
RMSD bond length	0.021
RMSD bond angle	2.306
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.960
High resolution limit [Å]	1.930	5.240	1.930
Rmerge	0.132	0.081	0.499
Rmeas	0.140	0.084	0.549
Rpim	0.043	0.023	0.218
Number of reflections	20671	1204	965
<I/σ(I)>	22
Completeness [%]	96.0	93.1	91.6
Redundancy	8.2	13.5	4.8
CC(1/2)		0.993	0.446

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