4Q2O

PDLIM4 PDZ in Complex with a Phage-Derived Peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-06
Detector	ADSC QUANTUM 210r
Spacegroup name	P 1 21 1
Unit cell lengths	33.710, 64.610, 126.220
Unit cell angles	90.00, 93.05, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.2501
Rwork	0.248
R-free	0.29200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v1w
RMSD bond length	0.012
RMSD bond angle	1.434
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.040	0.030	0.384
Number of reflections	31772
<I/σ(I)>	26.1
Completeness [%]	99.3	93.3	99.8
Redundancy	4	3.9	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	292	25% PEG 4000, 0.1 M sodium acetate (pH 4.6), 0.1 M Sodium citrate tribasic, 0.2 M ammonium sulfate, VAPOR DIFFUSION, temperature 292K