4YAM

Crystal structure of LigE-apo form from Sphingobium sp. strain SYK-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99996
Spacegroup name	C 1 2 1
Unit cell lengths	122.556, 97.155, 131.387
Unit cell angles	90.00, 106.65, 90.00

Refinement procedure

Resolution	50.000 - 1.905
R-factor	0.228
Rwork	0.227
R-free	0.27130
RMSD bond length	0.004
RMSD bond angle	0.956
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.3_1479))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.900
Number of reflections	114153
<I/σ(I)>	9
Completeness [%]	99.2
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Ammonium Citrate, 0.1 M MES pH 5.5, 20 % PEG 3,350, 5% Isopropanol