2QDC
Crystal structure of the HePTP catalytic domain D236A mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-09-09 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 61 |
Unit cell lengths | 127.258, 127.258, 59.560 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.16419 |
Rwork | 0.163 |
R-free | 0.19046 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zc0 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.363 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.079 | 0.442 |
Number of reflections | 37288 | |
<I/σ(I)> | 10.1 | 2.3 |
Completeness [%] | 99.9 | 99.1 |
Redundancy | 4.8 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 0.1 M ACETIC ACID, 2.0 M SODIUM/POTASSIUM PHOSPHATE, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |