9GJ1

NMDA bound to compound 339

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9660
Spacegroup name	P 21 21 21
Unit cell lengths	54.037, 88.143, 119.761
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.850 - 1.620
Rwork	0.201
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.676
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.82))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.850	1.660
High resolution limit [Å]	1.620	1.620
Rmerge	0.061	0.910
Rpim	0.027	0.582
Number of reflections	71100	4136
<I/σ(I)>	13.2	1.2
Completeness [%]	96.9	78.2
Redundancy	5.8	3.1
CC(1/2)	0.999	0.487

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