1MXH
Crystal Structure of Substrate Complex of Putative Pteridine Reductase 2 (PTR2) from Trypanosoma cruzi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 103 |
Detector technology | CCD |
Collection date | 2000-12-20 |
Detector | MARRESEARCH |
Spacegroup name | P 31 |
Unit cell lengths | 74.610, 74.610, 181.260 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 * - 2.300* |
R-factor | 0.205 |
Rwork | 0.205 |
R-free | 0.25200 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | INHIBITOR COMPLEX SOLVED BY MAD METHOD (PDBID 1MXF) |
RMSD bond length | 0.007 |
RMSD bond angle | 1.330 * |
Data reduction software | X-GEN |
Data scaling software | X-GEN |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 * | |
High resolution limit [Å] | 2.300 * | 2.300 * |
Rmerge | 0.059 * | 0.182 * |
Number of reflections | 47858 * | 7590 * |
<I/σ(I)> | 12.4 | |
Completeness [%] | 95.7 * | 91.2 * |
Redundancy | 2.4 * | 1.8 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8 * | 293 | Schormann, N., (2001) Acta Crystallogr.,Sect.D, 57, 1671. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | Tris-HCl | 20 (mM) | pH8.0 |
2 | 1 | reservoir | methotrexate | 1 (mM) | |
3 | 1 | reservoir | NADPH | 1 (mM) | |
4 | 1 | reservoir | 20 (mM) | ||
5 | 1 | reservoir | beta-mercaptoethanol | 5 (mM) | |
6 | 1 | drop | protein | 15 (mg/ml) |