4O3B

Crystal structure of an open/closed glua2 ligand-binding domain dimer at 1.91 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-5
Synchrotron site	MAX II
Beamline	I911-5
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-17
Detector	MAR CCD 165 mm
Wavelength(s)	0.9081
Spacegroup name	P 21 21 21
Unit cell lengths	62.720, 93.720, 97.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.505 - 1.906
R-factor	0.1397
Rwork	0.138
R-free	0.17820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ftl
RMSD bond length	0.011
RMSD bond angle	1.251
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.960	27.960	2.010
High resolution limit [Å]	1.910	6.030	1.910
Rmerge		0.042	0.083
Number of reflections	45335
<I/σ(I)>	19.8	28.5	11
Completeness [%]	98.1	87.2	92.1
Redundancy	3.7	3.4	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	279	20% PEG 4000, 0.1 M lithium sulfate and 0.1 M phosphate-citrate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K