2A0S
Crystal structure of 6-pyruvoyl tetrahydropterin synthase (PTPS) from Plasmodium vivax at 2.2 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-05 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 |
Unit cell lengths | 132.095, 132.095, 74.126 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.21023 |
Rwork | 0.208 |
R-free | 0.24575 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1y13 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.905 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.319 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 21321 | |
<I/σ(I)> | 11.9 | 2.3 |
Completeness [%] | 91.8 | 62.61 |
Redundancy | 3.5 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 18% w/v PEG4000, 0.05 M Sodium Acetate pH 4.6 , VAPOR DIFFUSION, SITTING DROP, temperature 298K |