6QJZ

Identificationand Characterization of an Oxalylfrom Grass pea (Lathyrus sativusCoA-Synthetase L.)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-10-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 2 21 21
Unit cell lengths	62.000, 74.260, 101.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.640 - 2.700
R-factor	0.20856
Rwork	0.208
R-free	0.22870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ie2
RMSD bond length	0.002
RMSD bond angle	1.197
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.640	2.797
High resolution limit [Å]	2.700	2.700
Rpim	0.186	0.264
Number of reflections	13429	1294
<I/σ(I)>	21.7	6.76
Completeness [%]	100.0	100
Redundancy	19.7	20.2
CC(1/2)	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.2M NaCl 25% Polyethylene glycol (PEG) 3,350 100 mM Tris pH 8.5. T