5WQL

Structure of a PDZ-protease bound to a substrate-binding adaptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-25
Detector	RAYONIX MX300HE
Wavelength(s)	1.20
Spacegroup name	P 21 21 21
Unit cell lengths	120.594, 146.726, 148.429
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	104.350 - 2.300
R-factor	0.22
Rwork	0.217
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xnf 4ql6
RMSD bond length	0.026
RMSD bond angle	1.774
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	104.350	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.067	0.682
Number of reflections	105941
<I/σ(I)>	21.05
Completeness [%]	99.9	100
Redundancy	4.5	4.6
CC(1/2)	0.955	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	289	0.2 M Ammonium citrate, 14% PEG3350