4BXC

Resolving the activation site of positive regulators in plant phosphoenolpyruvate carboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-12
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 2
Unit cell lengths	164.413, 121.232, 132.186
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.680 - 2.860
R-factor	0.18478
Rwork	0.184
R-free	0.22067
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zge
RMSD bond length	0.013
RMSD bond angle	1.619
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.900	2.990
High resolution limit [Å]	2.840	2.840
Rmerge	0.050	0.420
Number of reflections	60347
<I/σ(I)>	12.4	1.9
Completeness [%]	99.7	99.7
Redundancy	6.6	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6		0.1 M TRI-SODIUM CITRATE (PH 5.6/NAOH), 15 % (W/V) PEG4000 AND 0.2 M AMMONIUM SULFATE; SOAKED WITH 200 MM GLUCOSE 6-PHOSPHATE