6IXI

structure of Cd-bound periplasmic metal binding protein from candidatus liberibacter asiaticus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-05
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	P 32 2 1
Unit cell lengths	93.274, 93.274, 93.991
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.680 - 2.070
R-factor	0.1808
Rwork	0.179
R-free	0.21916
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cl2
RMSD bond length	0.006
RMSD bond angle	1.367
Data reduction software	HKL-2000 (v703g)
Data scaling software	HKL-2000 (v703g)
Phasing software	MOLREP (11.6.02)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	2.060	2.060
Number of reflections	29875	664
<I/σ(I)>	21	2.1
Completeness [%]	96.3	53.1
Redundancy	4.6
CC(1/2)	1.000	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	2M ammonium sulphate, 0.1M Sodium acetate Trihydrate