3V9I

Crystal structure of human 1-pyrroline-5-carboxylate dehydrogenase mutant S352L

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	150.382, 150.382, 192.518
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.826 - 2.850
R-factor	0.2106
Rwork	0.209
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v9g
RMSD bond length	0.011
RMSD bond angle	1.231
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]	47.784	47.690	3.000
High resolution limit [Å]	2.839	9.010	2.839
Rmerge		0.036	0.626
Total number of observations		5461	25737
Number of reflections	55880
<I/σ(I)>	8.6	22.3	2.2
Completeness [%]	97.5	90.6	99
Redundancy	3.2	3.3	3.1

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