5C0Q

Crystal structure of Zn bound CbsA from Thermotoga neapolitana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-23
Detector	ADSC QUANTUM 270
Wavelength(s)	1.28248
Spacegroup name	H 3 2
Unit cell lengths	158.843, 158.843, 520.569
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.966 - 2.499
R-factor	0.2016
Rwork	0.201
R-free	0.24250
RMSD bond length	0.015
RMSD bond angle	1.555
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.499
Number of reflections	169006
<I/σ(I)>	31
Completeness [%]	99.8
Redundancy	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287	0.1 M HEPES pH 7.5, 1.0 M sodium acetate, 0.05 M CdCl2