2BYY

E.coli KAS I H298E Mutation

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	2004-10-02
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	59.130, 139.386, 213.092
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.490 - 2.200
R-factor	0.217
Rwork	0.217
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ek4
RMSD bond length	0.012
RMSD bond angle	1.500
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]	32.500	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.110	0.160
Number of reflections	215468
<I/σ(I)>	5	4.4
Completeness [%]	88.2	72.7
Redundancy	2.9	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		1.9 M (NH4)2SO4, 2 % PEG400, 0.1 M BISTRIS-PROPANE PH 6.0