5Z6T

Crystal structure of D-xylose reductase from Scheffersomyces stipitis in complex with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-02
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 42 21 2
Unit cell lengths	97.654, 97.654, 160.119
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.370 - 2.000
R-factor	0.1799
Rwork	0.177
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1z9a
RMSD bond length	0.019
RMSD bond angle	1.983
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.380	2.030
High resolution limit [Å]	2.000	2.000
Number of reflections	49336	2503
<I/σ(I)>	26.3
Completeness [%]	98.6
Redundancy	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 3350, Ammonium citrate tribasic