1KP9

Crystal structure of mycolic acid cyclopropane synthase CmaA1, apo-form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2001-02-15
Detector	MACSCIENCE
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.342, 73.812, 76.043
Unit cell angles	90.00, 107.07, 90.00

Refinement procedure

Resolution	30.000 * - 2.200 *
R-factor	0.2
Rwork	0.200
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.270 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.340
High resolution limit [Å]	2.200	2.200
Rmerge	0.062 *	0.183 *
Total number of observations	45181 *
Number of reflections	23312
<I/σ(I)>	17.2	4.3
Completeness [%]	87.4	73.2
Redundancy	1.94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6.5	19 *	PEG 4000, sodium acetate, MES , ammonium acetate, 1,6-hexadiol, pH 6.5, EVAPORATION at 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	7-10 (mg/ml)
2	1	1	PEG4000	22 (%)
3	1	1	MES	0.2 (M)	pH6.5
4	1	1		0.3 (M)
5	1	1	1,6-hexanediol	3 (%)