5ITV

Crystal structure of Bacillus subtilis BacC Dihydroanticapsin 7-dehydrogenase in complex with NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-10-15
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54180
Spacegroup name	P 1 21 1
Unit cell lengths	74.750, 88.080, 78.610
Unit cell angles	90.00, 106.44, 90.00

Refinement procedure

Resolution	38.100 - 2.260
R-factor	0.20783
Rwork	0.207
R-free	0.22097
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.125
Data reduction software	iMOSFLM (7.2.0)
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.100	2.380
High resolution limit [Å]	2.260	2.260
Rmerge		0.325
Number of reflections	46073
<I/σ(I)>	12.9	3.8
Completeness [%]	99.8	98.9
Redundancy	3.9	3.7
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	291.15	0.2M Ammonium sulfate, 0.1M BIS-TRIS, pH 6.5, 25% w/v Polyethylene glycol 3350, 10% v/v Glycerol