3U4C

Crystal structure of YwfH, NADPH dependent reductase involved in Bacilysin biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-04-14
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 62 2 2
Unit cell lengths	69.301, 69.301, 206.989
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.684 - 2.030
R-factor	0.2033
Rwork	0.201
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.123
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.684	2.070
High resolution limit [Å]	2.030	2.030
Rmerge	0.062	0.574
Number of reflections	19411
<I/σ(I)>	17.7	3
Completeness [%]	97.0	90.6
Redundancy	17.2	12.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	293	0.1M HEPES, 1.4M Tri-sodium citrate dihydrate, pH 7.5, Microbatch, temperature 293K