5KQP

Crystal structure of Apo-form LMW-PTP

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	2011-11-04
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	31.957, 55.453, 96.326
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.029 - 2.052
R-factor	0.1963
Rwork	0.193
R-free	0.26630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5pnt
RMSD bond length	0.008
RMSD bond angle	1.066
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]	25.000
High resolution limit [Å]	2.050
Rmerge	0.102
Number of reflections	11281
<I/σ(I)>	25.5
Completeness [%]	99.9
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Crystals grew under the following condition: 30% PEGME 5000, 0.2 M ammonium sulfate, 100 mM MES buffer, pH=6.5. Then crystal were transferred to buffer containing 30% PEGME 5000, 0.2 M ammonium sulfate, 100 mM Bis-Tris, pH=6.5 to deplete the bound MES.