5ZYE

Crystal Structure of Glucose Isomerase Soaked with Mn2+ and Glucose

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	2017-09-27
Detector	ADSC QUANTUM 270
Wavelength(s)	0.987
Spacegroup name	I 2 2 2
Unit cell lengths	92.749, 98.961, 102.481
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.190 - 1.400
R-factor	0.16807
Rwork	0.167
R-free	0.18552
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y4i
RMSD bond length	0.021
RMSD bond angle	2.060
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0218)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.190	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.065	0.338
Rmeas	0.086	0.498
Rpim	0.040	0.230
Number of reflections	86795	4514
<I/σ(I)>	30.1	4.43
Completeness [%]	93.7	98.8
Redundancy	4.3	4.2
CC(1/2)		0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.5	PEG 400, MgCl2