3QNA

Crystal structure of a 6-pyruvoyltetrahydropterin synthase homologue from Esherichia coli complexed sepiapterin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6C1
Synchrotron site	PAL/PLS
Beamline	6C1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-22
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	I 2 2 2
Unit cell lengths	112.714, 115.882, 155.185
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	92.850 - 2.500
R-factor	0.18399
Rwork	0.182
R-free	0.23029
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qn9
RMSD bond length	0.022
RMSD bond angle	1.922
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.851	92.851
High resolution limit [Å]	2.496	2.496
Number of reflections	35585
Completeness [%]	99.9	99.9
Redundancy	14.3	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.16M tri-ammonium citrate pH 7.0, 16% PEG 3350 , VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.16M tri-ammonium citrate pH 7.0, 16% PEG 3350 , VAPOR DIFFUSION, HANGING DROP, temperature 291K