3JS5
Crystal structure of protein tyrosine phosphatase from Entamoeba histolytica with Hepes in the active site. High resolution, alternative crystal form with 1 molecule in asymmetric unit
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-31 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.433, 60.195, 72.229 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.240 - 1.940 |
R-factor | 0.169 |
Rwork | 0.167 |
R-free | 0.21200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ido |
RMSD bond length | 0.009 |
RMSD bond angle | 1.087 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.066 | 0.198 |
Number of reflections | 12697 | |
<I/σ(I)> | 19.6 | 4.7 |
Completeness [%] | 97.9 | 84.9 |
Redundancy | 4.4 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | PACT screen condition E6, 20% PEG 3350, 0.2 M sodium formate. 0.4:0.4 microliter drops. 31.7 mg/mL protein in 25 mM Hepes pH 7.0, 0.3 M NaCl, 10% Glycerol, 2 mM DTT. Crystal tracking ID 204749e6, expression tag not removed prior to crystallization, VAPOR DIFFUSION, SITTING DROP, temperature 289K |