6IKY

K2U 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	2017-10-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97950
Spacegroup name	P 61 2 2
Unit cell lengths	58.754, 58.754, 267.674
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.560 - 1.900
R-factor	0.2049
Rwork	0.203
R-free	0.23790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e5d
RMSD bond length	0.021
RMSD bond angle	2.242
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	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.095	0.059	0.493
Rmeas	0.099	0.061	0.526
Rpim	0.029	0.017	0.175
Number of reflections	22054	1338	992
<I/σ(I)>	14.4
Completeness [%]	95.7	97	91.4
Redundancy	9.4	13.5	7.1
CC(1/2)		0.998	0.415

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