1TMM
Crystal structure of ternary complex of E.coli HPPK(W89A) with MGAMPCPP and 6-Hydroxymethylpterin
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 | 2000-10-02 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.992, 47.392, 71.438 |
Unit cell angles | 90.00, 104.13, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.250 |
R-factor | 0.132 |
R-free | 0.16400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB 1Q0N |
RMSD bond length | 0.012 |
RMSD bond angle | 0.029 |
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 | 1.290 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.078 | 0.602 |
Number of reflections | 85986 | |
<I/σ(I)> | 16.8 | 2 |
Completeness [%] | 99.8 | 99.3 |
Redundancy | 4.037 | 3.47 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 292 | PEG4000, MAGNESIUM CHLORIDE, ACETATE, GLYCEROL, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 292.0K, pH 4.60 |