1G8M
CRYSTAL STRUCTURE OF AVIAN ATIC, A BIFUNCTIONAL TRANSFORMYLASE AND CYCLOHYDROLASE ENZYME IN PURINE BIOSYNTHESIS AT 1.75 ANG. RESOLUTION
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 1999-02-03 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9799, 0.9801, 0.9648 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.100, 106.000, 103.500 |
Unit cell angles | 90.00, 108.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.750 |
Rwork | 0.200 |
R-free | 0.21640 |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 22.300 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.058 | 0.475 |
Total number of observations | 460370 * | |
Number of reflections | 229603 | |
<I/σ(I)> | 15.8 | 2.4 |
Completeness [%] | 87.9 | 47.3 |
Redundancy | 2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7.4 * | 22 * | PEG 8000, imidazole-HCl and DTT, pH 7.2, VAPOR DIFFUSION, SITTING DROP at 295K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | enzyme | 10 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 25 (mM) | |
3 | 1 | drop | 150 (mM) | ||
4 | 1 | drop | 50 (mM) | ||
5 | 1 | drop | dithiothreitol | 5 (mM) | |
6 | 1 | drop | EDTA | 5 (mM) | |
7 | 1 | reservoir | PEG8000 | 15 (%(w/v)) | |
8 | 1 | reservoir | imidazole | 0.2 (M) | |
9 | 1 | reservoir | dithiothreitol | 5 (mM) |