9GIG

NMDA bound to compound 387

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-15
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	54.090, 90.770, 122.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.470 - 2.090
Rwork	0.206
R-free	0.25660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.583
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.82))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.470	2.130
High resolution limit [Å]	2.090	2.090
Rmerge	0.242	1.027
Rmeas	0.292
Rpim	0.152	0.657
Number of reflections	36660	1801
<I/σ(I)>	4.3	1.5
Completeness [%]	100.0	100
Redundancy	6.4
CC(1/2)	0.964	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	282.15	10-15% PEG 3350, 0.1 M HEPES pH 7.0, 1 mM sodium azide, 1% tryptone