3IHB

Crystal Structure Analysis of Mglu in its tris and glutamate form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	95
Detector technology	CCD
Collection date	2008-02-20
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.978
Spacegroup name	C 1 2 1
Unit cell lengths	118.359, 141.202, 76.115
Unit cell angles	90.00, 105.37, 90.00

Refinement procedure

Resolution	19.860 - 2.400
Rwork	0.221
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ih8
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.21)
Phasing software	AMoRE
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.073	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.131	0.412
Number of reflections	46819
<I/σ(I)>	4.3	1.7
Completeness [%]	99.5	98.6
Redundancy	3.1	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	15% PEG 4000, 100mM Sodium Acetate, 50mM HEPES, 300mM Tris, 200mM Glutamate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K