2HZQ

Crystal structure of human apolipoprotein D (ApoD) in complex with progesterone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-13
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00890
Spacegroup name	P 43 21 2
Unit cell lengths	49.206, 49.206, 144.126
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.800
R-factor	0.189
Rwork	0.187
R-free	0.22600
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	Model of uncomplexed ApoD
RMSD bond length	0.014
RMSD bond angle	1.691
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	EPMR
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.575	49.210	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge	0.070	0.049	0.308
Total number of observations		7562	26431
Number of reflections	17084
<I/σ(I)>	6.6	8.1	2.3
Completeness [%]	98.7	99.3	95.3
Redundancy	11.3	11.5	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1.1 M lithium sulfate, 0.1 M ammonium formate, 0.075 M Hepes/NaOH, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K