6J35

Crystal structure of ligand-free of PulA-G680L mutant from Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-16
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 1
Unit cell lengths	60.159, 80.203, 127.301
Unit cell angles	94.92, 103.01, 112.03

Refinement procedure

Resolution	38.721 - 1.839
R-factor	0.1654
Rwork	0.164
R-free	0.18950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fhf
RMSD bond length	0.011
RMSD bond angle	1.056
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.839	1.840
Rmerge	0.047	0.136
Rmeas	0.060	0.175
Rpim	0.037	0.107
Number of reflections	181784	17267
<I/σ(I)>	19.7	8.8
Completeness [%]	97.5	93.3
Redundancy	2.7	2.7
CC(1/2)	0.997	0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M sodium acetate buffer (pH 6.0), 0.2M magnesium acetate, 20%(w/v) PEG 6000