4LNC

Neutron structure of the cyclic glucose bound Xylose Isomerase E186Q mutant

Experimental procedure

Experimental method	LAUE
Source type	NUCLEAR REACTOR
Source details	ILL BEAMLINE H142
Synchrotron site	ILL
Beamline	H142
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2000-06-04
Detector	EMBL PROTOTYPE LADI-I
Wavelength(s)	3.6-5.0
Spacegroup name	I 2 2 2
Unit cell lengths	93.970, 99.520, 102.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.100 - 2.190
R-factor	0.288
Rwork	0.284
R-free	0.32200
RMSD bond length	0.022
RMSD bond angle	2.136
Data reduction software	LAUEGEN
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.100	2.290	1.920
High resolution limit [Å]	2.170	2.170	1.830
Rmerge	0.276	0.214	0.240
Number of reflections	23649
<I/σ(I)>	11.7	3.5	3.4
Completeness [%]	93.0	66.7	64.6
Redundancy	6.6	2.5	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.7	295	Large crystals were grown in 1.5 ml Eppendorf tubes with 15% ammonium sulfate, 72 mg/ml D-xylose isomerase at ph 7.7, Batch method, temperature 295K