5VT4

Sco GlgEI-V279S in complex with a pyrolidene-based methyl-phosphonate compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 41
Unit cell lengths	113.851, 113.851, 312.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.061 - 3.205
R-factor	0.2079
Rwork	0.207
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cn1
RMSD bond length	0.005
RMSD bond angle	1.039
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.061
High resolution limit [Å]	3.200	3.200
Number of reflections	64431
<I/σ(I)>	11.5	2.4
Completeness [%]	99.6	99.8
Redundancy	4.3	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.16	0.2 M sodium citrate pH 7.0 and 10 % PEG 3,350