21ZX

Crystal structure of Gephyrin E domain with PX-RICS peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97891
Spacegroup name	P 1 21 1
Unit cell lengths	66.512, 163.041, 88.047
Unit cell angles	90.00, 100.75, 90.00

Refinement procedure

Resolution	48.010 - 2.200
R-factor	0.1926
Rwork	0.190
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.997
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.097	0.058	0.542
Rmeas	0.106	0.064	0.595
Rpim	0.043	0.026	0.242
Total number of observations	530775
Number of reflections	92535	4693	4529
<I/σ(I)>	4
Completeness [%]	99.4	99.1	99
Redundancy	5.7	5.7	5.7
CC(1/2)	0.990	0.996	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	289.15	14 % v/v 2-Propanol, 30 % v/v Glycerol, 70 mM Sodium acetate; pH 4.6, 140 mM Calcium chloride