3U4D

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
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-05-02
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 62 2 2
Unit cell lengths	69.006, 69.006, 207.049
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.710 - 2.700
R-factor	0.2196
Rwork	0.217
R-free	0.27410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u4c
RMSD bond length	0.008
RMSD bond angle	1.254
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]	28.710	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.056	0.249
Number of reflections	8551
<I/σ(I)>	23.8	2.9
Completeness [%]	97.7	79.4
Redundancy	11.1	3.3

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