4MLM

Crystal Structure of PhnZ from uncultured bacterium HF130_AEPn_1

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9794, 0.9796, 0.9778
Spacegroup name	P 21 21 2
Unit cell lengths	104.670, 76.040, 60.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.800 - 1.700
R-factor	0.173
Rwork	0.172
R-free	0.19770
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	0.941
Data reduction software	XDS
Data scaling software	XDS
Phasing software	autoSHARP
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.800	1.740
High resolution limit [Å]	1.700	1.700
Rmerge		0.057
Number of reflections	103003
<I/σ(I)>		14.4
Completeness [%]	99.4	99.7
Redundancy		3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	2.4 M ammonium sulfate, 0.15 M potassium sodium L-tartrate, 0.5 % n-octyl-beta,D-glucoside, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K