5BSG

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

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	2014-11-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9786
Spacegroup name	P 1
Unit cell lengths	87.239, 100.300, 100.786
Unit cell angles	68.13, 85.76, 89.30

Refinement procedure

Resolution	39.390 - 1.950
R-factor	0.156
Rwork	0.155
R-free	0.17800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2izz
RMSD bond length	0.019
RMSD bond angle	1.826
Data scaling software	XSCALE
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000		2.060
High resolution limit [Å]	1.950	5.780	1.950
Rmerge	0.113	0.031	0.728
Rmeas	0.136	0.038	0.876
Total number of observations	732206
Number of reflections	225659	8730	34743
<I/σ(I)>	10.74	32.68	1.98
Completeness [%]	96.9	98.1	92.5
Redundancy	3.2		3.2

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).