4JAF

STRUCTURAL DETERMINATION OF THE A50T:S279G:S280K:V281K:K282E:H283N VARIANT OF CITRATE SYNTHASE FROM E. COLI COMPLEXED with NADH

Replaces:  3L98

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	H 3
Unit cell lengths	164.697, 164.697, 159.428
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.162
Rwork	0.162
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1K3P
RMSD bond length	0.006
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.300
Rmerge	0.078
Number of reflections	71583
<I/σ(I)>	7.8
Completeness [%]	99.9
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	2% (V/V) PEG400, 2.0-2.3 M AMMONIUM SULFATE, 0.1 M NA HEPES, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K