1EQM
CRYSTAL STRUCTURE OF BINARY COMPLEX OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE WITH ADENOSINE-5'-DIPHOSPHATE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9B |
Synchrotron site | NSLS |
Beamline | X9B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1998-07-23 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 79.140, 52.800, 36.640 |
Unit cell angles | 90.00, 103.43, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.500 |
R-factor | 0.1905 |
Rwork | 0.189 |
R-free | 0.26250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hka |
RMSD bond length | 0.007 |
RMSD bond angle | 0.022 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.084 | 0.589 |
Total number of observations | 83381 * | |
Number of reflections | 23029 | |
<I/σ(I)> | 18.6 | 1.97 |
Completeness [%] | 97.7 | 85.4 |
Redundancy | 3.6 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 18-20 * | PEG 4000, Tris-HCl, acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 4 (mg/ml) | |
2 | 1 | drop | MgATP | 5 (mM) | |
3 | 1 | drop | Tris | 10 (mM) | |
4 | 1 | reservoir | PEG4000 | 30 (%) | |
5 | 1 | reservoir | 0.2 (M) | ||
6 | 1 | reservoir | Tris | 0.2 (M) |