1I2B

CRYSTAL STRUCTURE OF MUTANT T145A SQD1 PROTEIN COMPLEX WITH NAD AND UDP-SULFOQUINOVOSE/UDP-GLUCOSE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	2000-07-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	I 41 2 2
Unit cell lengths	159.644, 159.644, 99.106
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.750
Rwork	0.180
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qrr
RMSD bond length	0.005
RMSD bond angle	1.270
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (0.9A)
Refinement software	CNS (0.9A)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.080	0.337
Number of reflections	63698
<I/σ(I)>	17.4	2
Completeness [%]	99.1	98.1
Redundancy	4.96	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	ammonium sulfate, sodium chloride, MES buffer, NAD+, UDP-glucose, sodium sulfite, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K