2GER

Crystal Structure and Oxidative Mechanism of Human Pyrroline-5-carboxylate Reductase

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-08-10
Detector	SBC-2
Wavelength(s)	0.9798
Spacegroup name	C 1 2 1
Unit cell lengths	207.607, 123.805, 120.790
Unit cell angles	90.00, 121.76, 90.00

Refinement procedure

Resolution	50.000 - 3.100
R-factor	0.235
Rwork	0.233
R-free	0.26100
Structure solution method	SAD
RMSD bond length	1.466
RMSD bond angle	0.007
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.200
High resolution limit [Å]	3.100	3.100
Number of reflections	239396
Completeness [%]	99.0	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.8-1M sodium acetate, 30-40mM imidazole, 50-60mM Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K