1IXE

Crystal structure of citrate synthase from Thermus thermophilus HB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2001-01-28
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	80.010, 110.630, 184.382
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.790 - 2.300
R-factor	0.179
Rwork	0.177
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iom
RMSD bond length	0.007
RMSD bond angle	1.000
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.120	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	0.079	0.217
Number of reflections	66309
<I/σ(I)>	7.8	3.4
Completeness [%]	90.7	76.7
Redundancy		8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	293	lithium sulfate, sodium citrate, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K