9IMP

The complex of PDZ3 and PBM

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-10-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97921
Spacegroup name	P 21 21 21
Unit cell lengths	59.390, 90.380, 170.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.870
R-factor	0.22811
Rwork	0.225
R-free	0.28230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jue
RMSD bond length	0.007
RMSD bond angle	1.352
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.090	2.940
High resolution limit [Å]	2.870	2.870
Rmerge	0.091	1.117
Number of reflections	20641	20641
<I/σ(I)>	21.3	2.7
Completeness [%]	99.9	100
Redundancy	13	13.9
CC(1/2)	0.999	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	289.15	1.8 M ammonium sulfate, 0.1 M citrate (pH 4.0)