6J34

Crystal Structure of maltotriose-complex of PulA from Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-06-02
Detector	RIGAKU RAXIS V
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	148.891, 60.119, 133.829
Unit cell angles	90.00, 114.69, 90.00

Refinement procedure

Resolution	47.153 - 1.498
R-factor	0.1318
Rwork	0.130
R-free	0.16080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fhc
RMSD bond length	0.010
RMSD bond angle	1.017
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	1.550
High resolution limit [Å]	1.498	1.498
Rmerge	0.056	0.370
Rmeas	0.061	0.406
Rpim	0.025	0.166
Number of reflections	170223	16219
<I/σ(I)>	26.4	6.1
Completeness [%]	98.5
Redundancy	5.8
CC(1/2)	0.999	0.966

Crystallization Conditions

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