2BD0

Chlorobium tepidum Sepiapterin Reductase complexed with NADP and Sepiapterin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6B
Synchrotron site	PAL/PLS
Beamline	6B
Temperature [K]	100
Detector technology	CCD
Collection date	2004-12-14
Detector	BRUKER
Wavelength(s)	1.1273
Spacegroup name	P 21 21 21
Unit cell lengths	84.359, 97.482, 123.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.900 - 1.700
Rwork	0.200
R-free	0.21300
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.900	1.810
High resolution limit [Å]	1.700	1.700
Rmerge	0.074	0.519
Number of reflections	111871
<I/σ(I)>	19.3
Completeness [%]	99.8	93.8
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.2M magnesium chloride, 0.1M tris, 34% PEG 400, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.2M magnesium chloride, 0.1M tris, 34% PEG 400, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.2M magnesium chloride, 0.1M tris, 34% PEG 400, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K