5C3R

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

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	2014-06-19
Detector	RAYONIX MX225HE
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	56.817, 155.775, 75.992
Unit cell angles	90.00, 91.65, 90.00

Refinement procedure

Resolution	50.000 - 2.350
R-factor	0.1826
Rwork	0.180
R-free	0.22450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c3o
RMSD bond length	0.005
RMSD bond angle	0.989
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.430
High resolution limit [Å]	2.350	5.060	2.350
Rmerge	0.069	0.058	0.126
Rmeas	0.083	0.070	0.152
Rpim	0.046	0.039	0.084
Total number of observations	166072
Number of reflections	53781
<I/σ(I)>	15.3		10.2
Completeness [%]	98.3	95.9	99.4
Redundancy	3.1	3	3.1
CC(1/2)		0.991	0.973

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