2QT5

Crystal Structure of GRIP1 PDZ12 in Complex with the Fras1 Peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-02-24
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	59.100, 75.925, 126.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.150 - 2.300
R-factor	0.202
Rwork	0.199
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.087
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.157	37.960	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge	0.060	0.024	0.355
Total number of observations		6567	20674
Number of reflections	25986
<I/σ(I)>	11.1	9.9	2.2
Completeness [%]	99.9	98.6	99.8
Redundancy	8.2	7.1	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	0.2M magnesium acetate, 0.1M sodium cacodylate pH 6.5, 20% PEG 8K, VAPOR DIFFUSION, HANGING DROP, temperature 289K