7CJO

Crystal structure of metal-bound state of glucose isomerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	85.718, 92.765, 98.822
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.460 - 1.400
R-factor	0.1347
Rwork	0.135
R-free	0.14700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6irk
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	152202	6645
<I/σ(I)>	24.52	3.03
Completeness [%]	98.4
Redundancy	5.5
CC(1/2)	0.997	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7	298.5	Tris-HCl, ammonium sulfate, magnesium sulfate