6FHE

Highly active enzymes by automated modular backbone assembly and sequence design

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	2017-07-12
Detector	RIGAKU
Wavelength(s)	1.541
Spacegroup name	P 41 21 2
Unit cell lengths	51.020, 51.020, 296.379
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.020 - 1.930
Rwork	0.242
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w2f
Data reduction software	iMOSFLM
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1-2575_1692: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.020	1.970
High resolution limit [Å]	1.930	1.930
Number of reflections	30737	2057
<I/σ(I)>	7.6	1
Completeness [%]	99.0	99.9
Redundancy	6.4	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	8% PEG 3,350 0.05M Tri-sodium cidrate pH=5.8