3V9H

Crystal structure of human 1-pyrroline-5-carboxylate dehydrogenase mutant S352A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979490
Spacegroup name	P 65
Unit cell lengths	149.131, 149.131, 190.687
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.451 - 2.400
R-factor	0.2107
Rwork	0.210
R-free	0.25080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v9g
RMSD bond length	0.008
RMSD bond angle	1.157
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.343	48.815	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.051	0.450
Total number of observations		11871	42899
Number of reflections	93350
<I/σ(I)>	10.7	24.9	2.3
Completeness [%]	99.7	99.2	99.5
Redundancy	3.7	3.9	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	reservoir: 22.5% PEG3350, 0.2 M ammonium sulfate, 0.1 M HEPES, pH 7.5, cryoprotectant: 25% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K