6INT

xylose isomerase from Paenibacillus sp. R4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	200
Detector technology	CCD
Collection date	2018-07-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	89.282, 124.039, 315.001
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.834 - 1.942
R-factor	0.2068
Rwork	0.204
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a0c
RMSD bond length	0.007
RMSD bond angle	0.812
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.940	1.940
Number of reflections	256014
<I/σ(I)>	42.9
Completeness [%]	99.8
Redundancy	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M calcium chloride, 0.1M HEPES: NaOH, pH 7.5, 27%(v/v) PPG P400