6RLH

The structure of 3fPizza6-SH obtained via vapour diffusion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-06
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	41.954, 53.264, 43.452
Unit cell angles	90.00, 102.39, 90.00

Refinement procedure

Resolution	23.900 - 1.500
R-factor	0.1807
Rwork	0.179
R-free	0.21490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ww9
RMSD bond length	0.006
RMSD bond angle	0.831
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.900	1.530
High resolution limit [Å]	1.500	1.500
Rpim	0.035	0.526
Number of reflections	29578	1393
<I/σ(I)>	17.3	2.2
Completeness [%]	98.6	96.8
Redundancy	4.5
CC(1/2)	0.999	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	0.1M MES pH6.5, 30%(w/v) PEG4000