6N99

Xylose isomerase 2F1 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	2017-12-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.458
Spacegroup name	C 1 2 1
Unit cell lengths	142.776, 82.293, 140.313
Unit cell angles	90.00, 109.81, 90.00

Refinement procedure

Resolution	19.757 - 2.800
R-factor	0.269
Rwork	0.267
R-free	0.31630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s5n
RMSD bond length	0.003
RMSD bond angle	0.519
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	2.970
High resolution limit [Å]	2.800	2.800
Number of reflections	37206
<I/σ(I)>	5.57
Completeness [%]	97.9
Redundancy	3.047

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	2.0 M lithium sulfate 8% 2-methyl-2,4-pentanediol 0.1 M imidazole pH 8.5