7MPY

Crystal structure of cytosolic HPPK-DHPS from A.thaliana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	66.680, 240.150, 148.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.460 - 2.300
Rwork	0.238
R-free	0.29980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bmb
RMSD bond length	0.010
RMSD bond angle	1.600
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.460	2.370
High resolution limit [Å]	2.300	2.300
Rmerge	0.090	0.639
Rmeas	0.100	0.746
Rpim	0.040	0.377
Number of reflections	51863	3518
<I/σ(I)>	9.6
Completeness [%]	96.9	77.7
Redundancy	5.9	3.6
CC(1/2)	0.990	0.230

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	Crystals of 13-20 mg/ml HPPK-DHPS (purified in 20 mM HEPES pH 8.0, 125 mM sodium chloride, 2 mM dithiothreitol of buffer) were obtained in 30-40% PEG 3350 and 0.2M NaF