1B66

6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE

Experimental procedure

Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Spacegroup name	P 3 2 1
Unit cell lengths	120.270, 120.270, 61.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.000 * - 1.900
R-factor	0.227
Rwork	0.227
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gtq
RMSD bond length	0.011
RMSD bond angle	1.700 *
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000 *
High resolution limit [Å]	1.900	1.900 *
Rmerge	0.087	0.413 *
Total number of observations	156350 *
Number of reflections	40302
Completeness [%]	99.5	97.7 *
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.4 *	4 *	pH 9.2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	drop	MES-NaOH	1 (mM)
3	1	reservoir	ammonium sulfate	1.3 (M)
4	1	reservoir	Tris-HCl	0.1 (M)
5	1	reservoir		2 (mM)