7CJP

Crystal structure of metal-free 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	86.288, 93.009, 98.914
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.460 - 1.500
R-factor	0.149
Rwork	0.149
R-free	0.16580
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	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	126047	6227
<I/σ(I)>	15	1.76
Completeness [%]	99.0	100
Redundancy	12.7	10.5
CC(1/2)	0.939	0.542

Crystallization Conditions

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