6N98

Xylose isomerase 1F1 variant from Streptomyces sp. F-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-12
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.458
Spacegroup name	I 2 2 2
Unit cell lengths	87.100, 92.900, 99.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.770 - 1.550
R-factor	0.1936
Rwork	0.193
R-free	0.21440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s5n
RMSD bond length	0.006
RMSD bond angle	0.817
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX ((dev_3139: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.640
High resolution limit [Å]	1.550	1.550
Number of reflections	52732
<I/σ(I)>	18.08
Completeness [%]	89.8
Redundancy	12.48

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M bis-tris propane pH 7.0 2.5 M ammonium sulfate