2PSW

Human MAK3 homolog in complex with CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-19
Detector	ADSC QUANTUM 210
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	47.643, 102.913, 67.157
Unit cell angles	90.00, 105.81, 90.00

Refinement procedure

Resolution	40.260 - 2.100
R-factor	0.2006
Rwork	0.197
R-free	0.26463
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ob0
RMSD bond length	0.013
RMSD bond angle	1.512
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.260	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	36244
<I/σ(I)>	15.9	2.3
Completeness [%]	98.7	98.6
Redundancy	3.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	Reservoir: 0.1 M Sodium acetate pH 5.0, 16% PEG3350, 10 mM DTT, 0.1% Dioxane. Protein: 11.8 mg/mL + 3-fold molar excess of CoA in 20 mM HEPES pH 7.5, 0.1 M NaCl, 2.5% 1,2-Propanediol, and 10 mM DTT. Cryo: 75% Reservoir + 25% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K