1RAO
CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI HPPK WITH AMP AND 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE AT 1.56 ANGSTROM RESOLUTION
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-11-28 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54178 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 79.689, 52.918, 36.560 |
Unit cell angles | 90.00, 103.46, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.560 |
R-factor | 0.1203 |
Rwork | 0.127 |
R-free | 0.18750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1QON |
RMSD bond length | 0.010 |
RMSD bond angle | 0.030 |
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] | 40.000 | 1.620 |
High resolution limit [Å] | 1.560 | 1.560 |
Rmerge | 0.066 | 0.620 |
Number of reflections | 21012 | |
<I/σ(I)> | 17.7407 | 1.4916 |
Completeness [%] | 99.4 | 97.7 |
Redundancy | 3.5064 | 3.3216 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 292 | PEG4000, ACETATE, GLYCEROL, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 292.0K |