5ZCI

Crystal structure of apo form of Xylose reductase from Debaryomyces nepalensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-02-03
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	61.760, 69.440, 159.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.857 - 2.000
R-factor	0.1896
Rwork	0.188
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jez
RMSD bond length	0.002
RMSD bond angle	0.484
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.400	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.157	0.745
Rmeas	0.165	0.781
Rpim	0.049	0.232
Number of reflections	42060	5483
<I/σ(I)>	12.6	3.1
Completeness [%]	89.2	81.1
Redundancy	10.5	10.7
CC(1/2)	0.997	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	24% PEG 3000, 0.1 M sodium citrate (pH 6.2), 0.15 M ammonium acetate