2O9G

Crystal Structure of AqpZ mutant L170C complexed with mercury.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Detector technology	CCD
Detector	ADSC QUANTUM 210
Spacegroup name	I 4
Unit cell lengths	91.156, 91.156, 77.145
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.420 - 1.900
R-factor	0.167
Rwork	0.166
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.614
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.457	64.420	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge	0.065	0.037	0.526
Total number of observations		3160	2290
Number of reflections	24884
<I/σ(I)>	9.2	14.4	1.4
Completeness [%]	85.1	97.5	41.1
Redundancy	3	3.4	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		hanging drop with 1:1 addition of protien and mothor liquor, 25% polyethylene glycol monomethyl ether 2000, 100 mM sodium cacodylate, 100 mM MgCl2, 1mM HgCl2, pH 6.5, VAPOR DIFFUSION, HANGING DROP
1	VAPOR DIFFUSION, HANGING DROP	6.5		hanging drop with 1:1 addition of protien and mothor liquor, 25% polyethylene glycol monomethyl ether 2000, 100 mM sodium cacodylate, 100 mM MgCl2, 1mM HgCl2, pH 6.5, VAPOR DIFFUSION, HANGING DROP