5BSF

Crystal structure of Medicago truncatula (delta)1-Pyrroline-5-Carboxylate Reductase (MtP5CR) in complex with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9790
Spacegroup name	P 1
Unit cell lengths	87.540, 100.780, 101.610
Unit cell angles	67.50, 85.86, 89.78

Refinement procedure

Resolution	39.130 - 1.850
R-factor	0.156
Rwork	0.155
R-free	0.17700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2izz 5bse
RMSD bond length	0.021
RMSD bond angle	1.864
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000		1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.045	0.022	0.640
Rmeas	0.053	0.026	0.750
Total number of observations	978057
Number of reflections	266309	2973	19483
<I/σ(I)>	17.69	52.91	1.96
Completeness [%]	97.4	96.5	96.2
Redundancy	3.7		3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	Morpheus screen (Molecular Dimensions) A7 solution (100 mM HEPES/MOPS buffer pH 7.5, 10% polyethylene glycol 4000, 20% glycerol, 30 mM MgCl2 and 30 mM CaCl2).