4MCE

Crystal structure of the Gas5 GRE Mimic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-04
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	H 3
Unit cell lengths	43.485, 43.485, 173.188
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	21.743 - 2.205
R-factor	0.19
Rwork	0.181
R-free	0.25840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.764
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.069	0.256
Number of reflections	6216
<I/σ(I)>		5.5
Completeness [%]	98.8	82.1
Redundancy	3.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.05 M sodium succinate pH 5.5 0.5 mM spermine 0.02 M magnesium chloride 3 M ammonium sulfate , VAPOR DIFFUSION, HANGING DROP, temperature 298K