6GNN

Exoenzyme T from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form bound to STO1101

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 2
Unit cell lengths	115.378, 60.301, 81.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.442 - 3.790
R-factor	0.2903
Rwork	0.285
R-free	0.38490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gn0
RMSD bond length	0.003
RMSD bond angle	0.589
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.700	3.850
High resolution limit [Å]	3.790	3.790
Rmerge	0.205	2.298
Rmeas	0.215	2.399
Rpim	0.062	0.681
Number of reflections	6026	351
<I/σ(I)>	7.3	1.2
Completeness [%]	100.0	99
Redundancy	12	12.2
CC(1/2)	0.998	0.515

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	12% PEG 6000, 0.1M Citrate