3R2P

2.2 Angstrom Crystal Structure of C Terminal Truncated Human Apolipoprotein A-I Reveals the Assembly of HDL by Dimerization.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-15
Detector	MAR CCD 165 mm
Wavelength(s)	0.91994
Spacegroup name	P 21 21 2
Unit cell lengths	108.333, 30.178, 69.576
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.788 - 2.204
R-factor	0.2356
Rwork	0.230
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Use the Se-Met derivative to obtain the starting model from SAD experiment.
RMSD bond length	0.007
RMSD bond angle	0.958
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.6.2_432)
Refinement software	PHENIX ((phenix.refine: 1.6.2_432))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.074	0.395
Number of reflections	11930
<I/σ(I)>	21.017	2.95
Completeness [%]	98.2	89.4
Redundancy	6.4	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	298	0.15M potassium bromide, 30% PEG 2000 MME, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K