5BSH

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

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	87.489, 100.928, 101.925
Unit cell angles	67.65, 85.46, 89.44

Refinement procedure

Resolution	40.000 - 2.100
R-factor	0.18
Rwork	0.180
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2izz 5bse
RMSD bond length	0.017
RMSD bond angle	1.600
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.069	0.047	0.482
Rmeas	0.086	0.059	0.608
Rpim	0.050	0.034	0.365
Total number of observations	481562
Number of reflections	183949
<I/σ(I)>	9		1.9
Completeness [%]	97.7	94.7	96.7
Redundancy	2.6	2.7	2.6
CC(1/2)		0.993	0.775

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).