1L1R
Crystal Structure of APRTase from Giardia lamblia Complexed with 9-deazaadenine, Mg2+ and PRPP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9B |
Synchrotron site | NSLS |
Beamline | X9B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-06-07 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.98 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 54.325, 54.325, 108.744 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 1.950 |
R-factor | 0.222 |
Rwork | 0.218 |
R-free | 0.26200 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1l1q |
RMSD bond length | 0.008 |
RMSD bond angle | 1.416 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.037 * | 0.369 * |
Total number of observations | 70505 * | |
Number of reflections | 14082 | |
<I/σ(I)> | 23.4 | 3 |
Completeness [%] | 99.5 | 99.8 |
Redundancy | 5 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 4.6 | 18 * | PEG 4000, ammonium acetate, urea, sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | sodium acetate | 100 (mM) | pH4.6 |
3 | 1 | reservoir | PEG4000 | 24 (%) | |
4 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
5 | 1 | reservoir | urea | 0.05 (M) |