2BYZ

Structure of E.coli KAS I H298Q mutant in complex with C12 fatty acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	CCD
Collection date	2004-11-19
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	59.100, 139.250, 212.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	116.400 - 1.950
R-factor	0.189
Rwork	0.189
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ek4
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	212.100	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.090	0.250
Number of reflections	113763
<I/σ(I)>	6.8	2.8
Completeness [%]	94.8	80.7
Redundancy	4.5	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.8		1.9 M (NH4)2SO4, 2 % PEG400, 0.1 M BISTRIS-PROPANE PH 6.0