1F80

HOLO-(ACYL CARRIER PROTEIN) SYNTHASE IN COMPLEX WITH HOLO-(ACYL CARRIER PROTEIN)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-10-01
Detector	RIGAKU RAXIS IV
Spacegroup name	C 2 2 21
Unit cell lengths	78.458, 122.032, 136.767
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.222 *
Rwork	0.222
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f7t
RMSD bond length	0.015
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.057	0.560
Total number of observations	270151 *
Number of reflections	29694 *
<I/σ(I)>	26.6
Completeness [%]	97.7 *	94.5
Redundancy	9.1	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.4	291	protein: 50mM Bis-Tris pH 6.4, 100mM sodium chloride, 10mM magnesium chloride, 10mM dithiothreitol Well: 0.15-0.3M potassium formate, 15-23% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 18K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	10 (mg/ml)
2	1	2	potassium formate	0.15-0.3 (M)
3	1	2	PEG3350	15-23 (%)
4	1	1	Bis-Tris	50 (mM)	pH6.4
5	1	1		100 (mM)
6	1	1		10 (mM)
7	1	1	dithiothreitol	10 (mM)