1O4V

Crystal structure of the catalytic subunit of a phosphoribosylaminoimidazole mutase (tm0446) from thermotoga maritima at 1.77 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-02-03
Detector	ADSC QUANTUM 315
Spacegroup name	I 4 2 2
Unit cell lengths	103.249, 103.249, 65.445
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.370 - 1.770
R-factor	0.1514
Rwork	0.150
R-free	0.18200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qcz
RMSD bond length	0.016
RMSD bond angle	1.460 *
Data reduction software	MOSFLM
Data scaling software	SCALA (4.2))
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.370	1.820
High resolution limit [Å]	1.770	1.770
Rmerge	0.072 *	0.452 *
Total number of observations	119908 *
Number of reflections	16698 *
<I/σ(I)>	19.3	2.1
Completeness [%]	95.4	73.8
Redundancy	7.2	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.9 *	293	2M ammonium sulfate, 0.1M tri-sodium citrate dihydrate pH 5.6, 0.2M potassium sodium tartrate tetrahydrate , VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	20 (mM)	pH7.9
2	1	drop		150 (mM)
3	1	drop	TCEP	0.25 (mM)
4	1	drop	protein	18 (mg/ml)
5	1	reservoir	ammonium sulfate	2.0 (M)
6	1	reservoir	sodium potassium tartrate	0.2 (M)
7	1	reservoir	Tris	0.1 (M)	pH5.6