7CNW

Crystal structure of Apo PSD from E. coli (1.90 A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-29
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98011
Spacegroup name	P 21 21 21
Unit cell lengths	77.443, 79.817, 147.089
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.810 - 1.900
R-factor	0.2131
Rwork	0.211
R-free	0.24330
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.579
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.030	49.030	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.137	0.035	2.802
Rmeas	0.142	0.036	2.933
Rpim	0.037	0.011	0.845
Total number of observations	1009308
Number of reflections	71625	712	3952
<I/σ(I)>	14.6	62	1
Completeness [%]	98.8	94.4	86.8
Redundancy	14.1	10.6	11.4
CC(1/2)	0.999	0.999	0.369

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	293	0.1 M BIS-TRIS pH 6.3, 28% w/v PEGMME 2000, 5% w/v 1.6-Hexanediol