4LS3
THE crystal STRUCTURE OF HELICOBACTER PYLORI CEUE(HP1561)/NI-HIS COMPL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.952 |
Spacegroup name | P 1 2 1 |
Unit cell lengths | 71.420, 60.650, 77.130 |
Unit cell angles | 90.00, 91.02, 90.00 |
Refinement procedure
Resolution | 30.325 - 1.700 |
R-factor | 0.1695 |
Rwork | 0.168 |
R-free | 0.20410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3UI8 |
RMSD bond length | 0.020 |
RMSD bond angle | 2.041 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.330 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.074 | 0.470 |
Number of reflections | 70159 | |
<I/σ(I)> | 11.4 | 2.6 |
Completeness [%] | 96.8 | 94.8 |
Redundancy | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.2 M LiCl, 0.1 M Tris-HCl, 30% PEG 4000., pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |