5KQM

Co-crystal structure of LMW-PTP in complex with MES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-02
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	33.690, 54.826, 95.191
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.463 - 1.910
R-factor	0.1869
Rwork	0.185
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5pnt
RMSD bond length	0.008
RMSD bond angle	1.989
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.910
Number of reflections	14276
<I/σ(I)>	27.7
Completeness [%]	99.7
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	30% PEGME 5000, 0.2 M ammonium sulfate, 100 mM MES, pH=6.5