1F9H
CRYSTAL STRUCTURE OF THE TERNARY COMPLEX OF E. COLI HPPK(R92A) WITH MGAMPCPP AND 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 1.50 ANGSTROM RESOLUTION
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 | 1999-09-06 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 73.612, 37.783, 57.970 |
Unit cell angles | 90.00, 117.04, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.500 |
R-factor | 0.0836 |
R-free | 0.15100 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1EQO |
RMSD bond length | 0.009 |
RMSD bond angle | 0.027 |
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] | 30.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.100 | 0.449 |
Total number of observations | 78292 * | |
Number of reflections | 22905 | |
<I/σ(I)> | 12.1143 | 2.16 |
Completeness [%] | 93.1 * | 94.2 |
Redundancy | 3.418 | 3.05 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 18-20 * | PEG4000, MAGNESIUM CHLORIDE, ACETATE, GLYCEROL, pH 5.20, VAPOR DIFFUSION, HANGING DROP, temperature 292.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 9 (mg/ml) | |
2 | 1 | drop | AMPCPP | 25 (mM) | |
3 | 1 | drop | HP | 15 (mM) | |
4 | 1 | drop | 50 (mM) | ||
5 | 1 | drop | Tris-HCl | 10 (mM) | pH8.0 |
6 | 1 | reservoir | PEG4000 | 27 (%(w/v)) | |
7 | 1 | reservoir | ammonium acetate | 180 (mM) | |
8 | 1 | reservoir | glycerol | 10 (%(v/v)) | |
9 | 1 | reservoir | sodium acetate | 90 (mM) | pH4.6 |