5C22

Crystal structure of Zn-bound HlyD from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-13
Detector	ADSC QUANTUM 270
Wavelength(s)	1.28245
Spacegroup name	P 21 21 21
Unit cell lengths	80.865, 94.476, 181.378
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.200 - 2.302
R-factor	0.2279
Rwork	0.227
R-free	0.26360
RMSD bond length	0.004
RMSD bond angle	0.758
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]	37.200
High resolution limit [Å]	2.300
Number of reflections	118968
<I/σ(I)>	21.6
Completeness [%]	100.0
Redundancy	65.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	287	0.1 M Sodium cacodylate trihydrate, 0.2M Calcium acetate, 14% PEG 8000