5YGJ

Crystal structure of a synthase from Streptomyces sp. CL190

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	92.525, 118.436, 88.872
Unit cell angles	90.00, 116.35, 90.00

Refinement procedure

Resolution	24.912 - 2.648
R-factor	0.2122
Rwork	0.209
R-free	0.26850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xk3
RMSD bond length	0.012
RMSD bond angle	1.691
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.740
High resolution limit [Å]	2.648	5.690	2.650
Rmerge	0.053	0.031	0.364
Rmeas	0.063	0.037	0.429
Rpim	0.033	0.020	0.227
Number of reflections	24803	2509	2416
<I/σ(I)>	17.6
Completeness [%]	99.1	98.4	96.3
Redundancy	3.5	3.4	3.4
CC(1/2)		0.999	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	NaAc, HEPES, PEG 3350