1XEF
Crystal structure of the ATP/Mg2+ bound composite dimer of HlyB-NBD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
Synchrotron site | MPG/DESY, HAMBURG |
Beamline | BW6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-06-15 |
Detector | MARRESEARCH |
Wavelength(s) | 1.05 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.926, 194.917, 63.706 |
Unit cell angles | 90.00, 110.68, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.500 |
R-factor | 0.22177 |
Rwork | 0.219 |
R-free | 0.26426 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mt0 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.037 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 95.350 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 33295 | |
<I/σ(I)> | 23.4 | 2.8 |
Completeness [%] | 99.4 | 99.8 |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 277 | Sodium acetate, isopropanol, PEG-MME 5500, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |