5TU4

PagF with Boc-Tyr and DMSPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-03
Detector	MARRESEARCH
Wavelength(s)	0.97872
Spacegroup name	P 65
Unit cell lengths	116.442, 116.442, 43.682
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.120 - 2.100
R-factor	0.187
Rwork	0.184
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.936
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.083	0.673
Number of reflections	114490
<I/σ(I)>	16.5
Completeness [%]	97.0
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		280	20-25% PEG 3350 20 mM Tris-HCl, pH=7.5 200 mM NaCl