7NZD

Fourth SH3 domain of POSH (Plenty of SH3 Domains protein)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9119
Spacegroup name	P 32 2 1
Unit cell lengths	45.520, 45.520, 65.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	65.740 - 1.450
Rwork	0.160
R-free	0.22750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Homology model build with the template 2LJ1
RMSD bond length	0.010
RMSD bond angle	1.501
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (7.0.078)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.740	1.480
High resolution limit [Å]	1.450	1.450
Number of reflections	14475	703
<I/σ(I)>	23.8	1
Completeness [%]	100.0	99.29
Redundancy	18.8
CC(1/2)	1.000	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	0.1M MES pH 6.5, 23% PEG 4000