4J7X

Crystal structure of human sepiapterin reductase in complex with sulfasalazine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	149.194, 149.194, 180.552
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.840 - 2.600
R-factor	0.21945
Rwork	0.218
R-free	0.24188
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hwk
RMSD bond length	0.006
RMSD bond angle	1.177
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.760
High resolution limit [Å]	2.600	2.600
Number of reflections	68379
Completeness [%]	98.2	98.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	1.70 M ammonium sulphate, 0.1 M HEPES, 2 % w/v PEG 1000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K