6A9B

T4 dCMP hydroxymethylase structure solved by I-SAD using a home source

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-03-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	52.603, 74.982, 155.345
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.301 - 2.010
R-factor	0.1632
Rwork	0.160
R-free	0.19150
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.040
High resolution limit [Å]	2.010	5.450	2.010
Rmerge	0.059	0.045	0.208
Rmeas	0.064	0.049	0.225
Rpim	0.024	0.019	0.085
Total number of observations	145060
Number of reflections	20840	1132	1026
<I/σ(I)>	27.3
Completeness [%]	99.8	98.4	100
Redundancy	7	6.5	6.8
CC(1/2)		0.999	0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.1 M Tris-HCl pH 8.5 0.96 M sodium citrate