7XFU

MucP PDZ2 domain with peptide GPAVLA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 43
Unit cell lengths	34.865, 34.865, 114.467
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.870 - 1.530
R-factor	0.191
Rwork	0.188
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xft
RMSD bond length	0.006
RMSD bond angle	0.918
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.560
High resolution limit [Å]	1.530	1.530
Rpim	0.055	0.161
Number of reflections	20550	982
<I/σ(I)>	14	2.9
Completeness [%]	99.8	98.6
Redundancy	5.9	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.2M Potassium sodium tartrate tetrahydrate, 0.1M Sodium citrate tribasic dihydrate pH 5.6, 2.0M Ammonium sulfate