5ZYC

Crystal Structure of Glucose Isomerase Soaked with Mn2+

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	2017-09-28
Detector	ADSC QUANTUM 270
Wavelength(s)	0.987
Spacegroup name	I 2 2 2
Unit cell lengths	92.456, 97.921, 101.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.630 - 1.750
R-factor	0.16164
Rwork	0.161
R-free	0.18411
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y4i
RMSD bond length	0.019
RMSD bond angle	1.750
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]	70.630	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.110	0.364
Rmeas	0.126	0.414
Rpim	0.059	0.059
Number of reflections	46646	2302
<I/σ(I)>	20.69
Completeness [%]	99.4	100
Redundancy	4.4	4.4
CC(1/2)		0.903

Crystallization Conditions

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