2BUI

E. COLI BETA-KETOACYL (ACYL CARRIER PROTEIN) SYNTHASE I IN COMPLEX WITH OCTANOIC ACID, 120K

Replaces:  1OG9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2002-09-04
Detector	RIGAKU IMAGE PLATE
Spacegroup name	P 21 21 21
Unit cell lengths	59.037, 138.662, 212.275
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.980 - 2.400
R-factor	0.175
Rwork	0.175
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ek8
RMSD bond length	0.006
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]	14.980	2.570
High resolution limit [Å]	2.400	2.400
Rmerge	0.080	0.180
Number of reflections	67445
<I/σ(I)>	8.4	4
Completeness [%]	91.2	80.3
Redundancy	6.6	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.4		2% PEG 400, 1.9 M AMMONIUM SULPHATE,0.1 M BIS-TRIS PROPANE PH 6.5