3SIA

Crystal structure of URE3-binding protein, (D127A,N129A) mutant, iodide phased

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-22
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.541780
Spacegroup name	C 2 2 21
Unit cell lengths	45.880, 68.250, 130.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.860 - 2.050
R-factor	0.179
Rwork	0.176
R-free	0.23700
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.455
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CRANK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.860		2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.078	0.037	0.369
Number of reflections	13084	177	818
<I/σ(I)>	25.59	54.6	6.5
Completeness [%]	98.4	94.7	86.4
Redundancy	13.48		10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	290	Internal tracking number 218398G5. Focus screen based on CryoFull G6. 1.5 uL 40% PEG600, 0.1 M citrate pH 4.6 + 2 uL EnhiA.01648.a.D18 PD00157 (VCID3088) at 5.6 mg/ml, VAPOR DIFFUSION, SITTING DROP, temperature 290K