3JQZ

Crystal Structure of Human serum albumin complexed with Lidocaine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.008
Spacegroup name	I 41
Unit cell lengths	168.476, 168.476, 97.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.928 - 3.300
R-factor	0.2227
Rwork	0.220
R-free	0.26820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bxe
RMSD bond length	0.003
RMSD bond angle	0.715
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	119.523	3.500
High resolution limit [Å]	3.300	3.300
Rmerge	0.092
Number of reflections	20507
<I/σ(I)>	13.04	1.16
Completeness [%]	99.9	100
Redundancy	6.3	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	20-21% polyethylene glycol 6000, 9-10% ethylene glycol, 50/100mM ammonium acetate, 2% 2-methyl-2,4-pentanediol, 50mM Tris-HCl, pH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K