1XKV

Crystal Structure Of ATP-Dependent Phosphoenolpyruvate Carboxykinase From Thermus thermophilus HB8

Replaces:  1WG9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-02-04
Detector	RIGAKU RAXIS V
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	65.067, 130.548, 174.195
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.930 - 2.200
R-factor	0.187
Rwork	0.186
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j3b
RMSD bond length	0.007
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.083	0.542
Number of reflections	75829
<I/σ(I)>	9.3	4.1
Completeness [%]	100.0	100
Redundancy	6.8	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.8	291	potassium phosphate, sodium phosphate, ATP, pH 6.8, microbatch, temperature 291K