6D34

Apo Crystal Structure of TerC, a Terfestatin Biosynthesis Enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-04
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	C 1 2 1
Unit cell lengths	134.721, 31.020, 101.258
Unit cell angles	90.00, 130.66, 90.00

Refinement procedure

Resolution	38.408 - 2.100
R-factor	0.193
Rwork	0.190
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ebt
RMSD bond length	0.003
RMSD bond angle	0.556
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.13rc1_2954))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.408	38.408	1.900
High resolution limit [Å]	1.800	5.340	1.800
Rmerge	0.136	0.042	1.390
Rmeas	0.150	0.046	1.541
Total number of observations	167645
Number of reflections	30175	1233	4756
<I/σ(I)>	8.97	30.44	1.19
Completeness [%]	99.3	97.9	98.3
Redundancy	5.556	5.127	5.537
CC(1/2)	0.997	0.998	0.631

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	25% v/v 2-propanol, 100 mM HEPES pH 7.5, 30% w/v PEG 3350, 50 mM sodium chloride