5C3S

Crystal structure of the full-length Neurospora crassa T7H in complex with alpha-KG and 5-formyluracil (5fU)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-30
Detector	RAYONIX MX225HE
Wavelength(s)	0.9199
Spacegroup name	P 1 21 1
Unit cell lengths	56.801, 155.604, 75.954
Unit cell angles	90.00, 91.74, 90.00

Refinement procedure

Resolution	50.000 - 2.150
R-factor	0.1861
Rwork	0.184
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c3o
RMSD bond length	0.006
RMSD bond angle	1.058
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge	0.123	0.065	0.594
Rmeas	0.140	0.074	0.680
Rpim	0.068	0.035	0.330
Total number of observations	290491
Number of reflections	69438
<I/σ(I)>	8.4		3.7
Completeness [%]	98.5	99.4	97.1
Redundancy	4.2	4.3	4.1
CC(1/2)		0.995	0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	0.1 M BIS-TRIS, 25%(W/v) PEG 3350