5WL5

Crystal structure of chalcone isomerase engineered from ancestral inference (ancR5)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	P 41 21 2
Unit cell lengths	65.510, 65.510, 117.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.188 - 1.513
R-factor	0.1791
Rwork	0.178
R-free	0.19080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB:4DOI
RMSD bond length	0.007
RMSD bond angle	1.073
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	57.190
High resolution limit [Å]	1.510
Number of reflections	40583
<I/σ(I)>	18.9
Completeness [%]	100.0
Redundancy	16.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	3.5mM ammonium sulfate and 100mM TAPS