2DJ6

Crystal structure of 6-pyruvoyl tetrahydrobiopterin synthase from Pyrococcus horikoshii OT3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-15
Detector	MARRESEARCH
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	35.831, 95.708, 105.654
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.560 - 2.100
R-factor	0.2005
Rwork	0.201
R-free	0.23050
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.850	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.276	0.276
Number of reflections	21534
<I/σ(I)>	9.9	3.07
Completeness [%]	98.3	98.5
Redundancy	4.7	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbathch	6.25	291	16.5% PEG 20000, 0.1M Acetate, NAOH pH 6.25, microbathch, temperature 291K
1	microbathch	6.25	291	16.5% PEG 20000, 0.1M Acetate, NAOH pH 6.25, microbathch, temperature 291K
1	microbathch	6.25	291	16.5% PEG 20000, 0.1M Acetate, NAOH pH 6.25, microbathch, temperature 291K