5E4R

Crystal structure of domain-duplicated synthetic class II ketol-acid reductoisomerase 2Ia_KARI-DD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 43 2 2
Unit cell lengths	103.882, 103.882, 142.074
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	103.880 - 1.940
R-factor	0.1587
Rwork	0.158
R-free	0.17950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xdz
RMSD bond length	0.020
RMSD bond angle	1.128
Data reduction software	XDS
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	103.882	38.881	2.030
High resolution limit [Å]	1.922	6.080	1.920
Rmerge		0.030	0.608
Rmeas	0.085
Rpim	0.026	0.010	0.222
Total number of observations	613837	20764	65980
Number of reflections	59315
<I/σ(I)>	19.2	48.1	3.4
Completeness [%]	99.2	99.6	94.4
Redundancy	10.3	9.8	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	2M sodium formate