6IKT

K1U 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	58.880, 58.880, 265.292
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.900 - 1.900
R-factor	0.2048
Rwork	0.203
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e5d
RMSD bond length	0.019
RMSD bond angle	2.187
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	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.161	0.099	0.516
Rmeas	0.169	0.103	0.588
Rpim	0.049	0.027	0.269
Number of reflections	21949	1310	982
<I/σ(I)>	16.6
Completeness [%]	96.6	96.1	91.6
Redundancy	8.7	12.8	4
CC(1/2)		0.996	0.057

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