2O9E

Crystal Structure of AqpZ mutant T183C 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	91.103, 91.103, 77.944
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.420 - 2.200
R-factor	0.196
Rwork	0.193
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.638
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]	64.420	64.420	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.088	0.037	0.594
Total number of observations		1553	8274
Number of reflections	16199
<I/σ(I)>	6.1	14.2	0.8
Completeness [%]	99.8	93.7	100
Redundancy	3.5	3.1	3.5

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, 1 mM 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, 1 mM HgCl2, pH 6.5, VAPOR DIFFUSION, HANGING DROP