6XK0

Albumin-dexamethasone complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 61
Unit cell lengths	94.983, 94.983, 143.591
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.540 - 2.400
R-factor	0.2054
Rwork	0.203
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v08
RMSD bond length	0.002
RMSD bond angle	1.127
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.110	0.054	1.053
Rmeas	0.123	0.060	1.221
Rpim	0.055	0.027	0.605
Number of reflections	28870	1498	1412
<I/σ(I)>	8.8
Completeness [%]	99.8	99.8	98.3
Redundancy	4.9	4.9	3.5
CC(1/2)		0.983	0.619

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	Prior to crystallization, 15 mg/ml protein was incubated with dexamethasone powder (10-fold molar excess) for 60 min at room temperature, and the mixture with the powder in suspension was used for crystallization. 1 ul of this mixture was mixed with 1 ul of the well condition (1.8 M ammonium dihydrogen citrate, pH 7.0) and equilibrated against the well solution in 15-Well hanging drop crystallization plate (Qiagen, EasyXtal). 1:1 mixture of Paratone N and mineral oil was used as a cryoprotectant