7KZ5

Crystal structure of KabA from Bacillus cereus UW85 in complex with the plp external aldimine adduct with kanosamine-6-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.814
Spacegroup name	P 1
Unit cell lengths	66.670, 66.600, 111.780
Unit cell angles	77.35, 81.06, 87.91

Refinement procedure

Resolution	46.748 - 1.600
R-factor	0.1768
Rwork	0.175
R-free	0.21530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kz3
RMSD bond length	0.020
RMSD bond angle	1.616
Data reduction software	AutoProcess
Data scaling software	AutoProcess
Phasing software	MOLREP
Refinement software	PHENIX (dev_2398)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.748	1.657
High resolution limit [Å]	1.600	1.600
Rmerge	0.046	0.339
Rmeas	0.062	0.462
Rpim	0.042	0.313
Number of reflections	227037	22494
<I/σ(I)>	10.49
Completeness [%]	92.8	92.03
Redundancy	2.2	2.1
CC(1/2)	0.997	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291.15	PEG 4000, Sodium Chloride