5BSE

Crystal structure of Medicago truncatula (delta)1-Pyrroline-5-Carboxylate Reductase (MtP5CR)

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	86.800, 100.600, 101.200
Unit cell angles	67.90, 85.30, 89.30

Refinement procedure

Resolution	38.930 - 1.700
R-factor	0.16
Rwork	0.160
R-free	0.18000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2izz
RMSD bond length	0.020
RMSD bond angle	1.900
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000		1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.044	0.054	0.670
Rmeas	0.050	0.061	0.799
Total number of observations	1383055
Number of reflections	338502	3833	24670
<I/σ(I)>	15.17	42.18	1.9
Completeness [%]	97.2	97.8	95.6
Redundancy	4.1		3.4

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).