4ZXW

Crystal structure of SgcC5 protein from Streptomyces globisporus (complex with (R)-(-)-1-(2-naphthyl)-1,2-ethanediol and sucrose)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	99.397, 105.304, 108.167
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.278 - 2.187
R-factor	0.1615
Rwork	0.161
R-free	0.20810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4znm
RMSD bond length	0.013
RMSD bond angle	1.386
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (dev_1938)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.109	0.762
Number of reflections	58829
<I/σ(I)>	14.8	2.36
Completeness [%]	99.8	99.9
Redundancy	4.5	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	277	0.2 M lithium sulfate, 0.1 M CAPS:NaOH, pH 10.5, 2 M ammonium sulfate, 4.06 mM (S)-beta-tyrosine-N-acetylethylenediamine, 4.06 mM (R)-(-)-1-(2-naphthyl)-1,2-ethanediol, cryo 28% sucrose