4PEX

Structure of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with glucose

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	2013-08-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 1 21 1
Unit cell lengths	53.939, 100.055, 99.556
Unit cell angles	90.00, 92.31, 90.00

Refinement procedure

Resolution	24.265 - 1.750
R-factor	0.1423
Rwork	0.141
R-free	0.17210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pew
RMSD bond length	0.015
RMSD bond angle	1.454
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.690
High resolution limit [Å]	1.660	4.500	1.660
Rmerge	0.082	0.033	0.546
Total number of observations	462173
Number of reflections	123726
<I/σ(I)>	7.2
Completeness [%]	99.9	98.6	100
Redundancy	3.7	3.9	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	Protein Solution (20 mg/ml protein, 0.05 M NaCl, and 0.010 M MOPS pH 7) mixed in a 1:1 ratio with the Well Solution (20% PEG 3350, 125mM NaCH02, and 100mM BTP pH 6.5). Cryoprotected with 20% PEG 3350, 125mM NaCH02, 75mM Glucose, 100mM BTP pH 6.5 and 15% ethylene glycol