5YNG

Crystal structure of SZ348 in complex with cyclopentene oxide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-07-02
Detector	RIGAKU
Wavelength(s)	1.542
Spacegroup name	P 63
Unit cell lengths	104.159, 104.159, 73.625
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.459 - 2.497
R-factor	0.1924
Rwork	0.190
R-free	0.24130
RMSD bond length	0.008
RMSD bond angle	0.937
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.500
Number of reflections	15393
<I/σ(I)>	14.6
Completeness [%]	96.7
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	2.4M Na/K phosphate, 3% xylitol, 0.1M Tris-HCl pH 8.5