5Z6U

Crystal structure of D-xylose reductase from Scheffersomyces stipitis

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	2017-05-10
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	69.248, 87.151, 122.623
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.040 - 1.950
R-factor	0.1914
Rwork	0.189
R-free	0.23580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1z9a
RMSD bond length	0.018
RMSD bond angle	1.760
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]	71.040	1.980
High resolution limit [Å]	1.950	1.950
Number of reflections	51177	2698
<I/σ(I)>	55.2
Completeness [%]	98.8
Redundancy	6.7

Crystallization Conditions

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