1N99

CRYSTAL STRUCTURE OF THE PDZ TANDEM OF HUMAN SYNTENIN

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	2001-10-18
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97946, 0.97133, 0.97900
Spacegroup name	C 1 2 1
Unit cell lengths	100.727, 48.678, 74.690
Unit cell angles	90.00, 120.82, 90.00

Refinement procedure

Resolution	30.000 - 1.940
R-factor	0.18641
Rwork	0.184
R-free	0.22700 *
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.800 *
Data reduction software	TRUNCATE
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	SHARP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.010
High resolution limit [Å]	1.940	1.940
Rmerge	0.048 *	0.311 *
Total number of observations	86109 *
Number of reflections	23095 *
<I/σ(I)>	21.29	5.8
Completeness [%]	98.8 *	90.2 *
Redundancy	3.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	21 *	used microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium acetate	0.1 (M)	pH4.6
2	1	reservoir	PEG4000	24 (%)
3	1	reservoir	ammonium acetate	0.2 (M)
4	1	drop	protein	6 (mg/ml)