2AOT
Histamine Methyltransferase Complexed with the Antihistamine Drug Diphenhydramine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X26C |
Synchrotron site | NSLS |
Beamline | X26C |
Temperature [K] | 173 |
Detector technology | CCD |
Collection date | 2000-11-11 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.1 |
Spacegroup name | P 6 |
Unit cell lengths | 131.670, 131.670, 63.750 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.000 - 1.900 |
R-factor | 0.225 |
Rwork | 0.221 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jqd |
RMSD bond length | 0.031 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | GLRF |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.068 | 0.250 |
Number of reflections | 47507 | |
<I/σ(I)> | 24.8 | |
Completeness [%] | 95.5 | 95.2 |
Redundancy | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 289 | PEG 6000, MES, ethyleneglycol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |