1FSG
TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH 9-DEAZAGUANINE, ALPHA-D-5-PHOSPHORIBOSYL-1-PYROPHOSPHATE (PRPP) AND TWO MG2+ IONS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-03-01 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 69.330, 90.180, 75.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.000 - 1.050 |
Rwork | 0.122 |
R-free | 0.15430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | UNPUBLISHED T. GONDII HGPRT-GMP COMPLEX STRUCTURE. LOOPS WATERS AND GMP WERE REMOVED FROM ALL SUBUNITS OF THE MOLECULAR REPLACEMENT MODEL. |
RMSD bond length | 0.015 |
RMSD bond angle | 2.340 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.080 |
High resolution limit [Å] | 1.050 | 1.050 |
Rmerge | 0.072 | 0.555 |
Total number of observations | 915734 * | |
Number of reflections | 220433 * | |
<I/σ(I)> | 8.4 | 1.8 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 4.2 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 4 * | drop was mixed with an equal volume of reservoir solution * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20 (mg/ml) | |
2 | 1 | drop | 10 (mM) | ||
3 | 1 | drop | PRPP | 2 (mM) | |
4 | 1 | drop | 9-dzG | 2 (mM) | |
5 | 1 | reservoir | PEG4000 | 30 (%) | precipitant |
6 | 1 | reservoir | Tris-HCl | 100 (mM) | precipitant |
7 | 1 | reservoir | 200 (mM) | precipitant | |
8 | 1 | reservoir | beta-octylglucoside | 0.5 (%) |