7NYM

Mutant V517A - SH3 domain of JNK-interacting Protein 1 (JIP1)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.8731
Spacegroup name	P 21 21 21
Unit cell lengths	33.120, 84.254, 98.315
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.976 - 1.614
Rwork	0.131
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nyk
RMSD bond length	0.011
RMSD bond angle	1.680
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (7.0.078)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.976	1.518
High resolution limit [Å]	1.450	1.454
Number of reflections	45428	2272
<I/σ(I)>	7	1.3
Completeness [%]	94.0
Redundancy	12.5
CC(1/2)	0.990	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	0.1 M HEPES pH 7.5, 1-5 % PEG 400, 2-2.5 M ammonium sulfate