5V9J

Crystal structure of catalytic domain of GLP with MS0105

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-16
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	74.848, 95.891, 102.416
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.740
R-factor	0.1739
Rwork	0.173
R-free	0.19720
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5ttg
RMSD bond length	0.009
RMSD bond angle	1.488
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.770
High resolution limit [Å]	1.740	4.720	1.740
Rmerge	0.123	0.052	0.829
Number of reflections	76349
<I/σ(I)>	7.4
Completeness [%]	100.0	99.7	99.4
Redundancy	8.1	7.7	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	20% PEG 4000, 20% IProp, 0.1 M NaCitrate pH5.6