3QDL
Crystal structure of RdxA from Helicobacter pyroli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-19 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.8726 |
Spacegroup name | P 41 |
Unit cell lengths | 49.440, 49.440, 304.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.120 - 2.000 |
R-factor | 0.1898 |
Rwork | 0.188 |
R-free | 0.22030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1icr |
RMSD bond length | 0.006 |
RMSD bond angle | 0.915 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 76.120 | 38.383 | 2.110 |
High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
Rmerge | 0.086 | 0.320 | |
Total number of observations | 8670 | 37552 | |
Number of reflections | 48813 | ||
<I/σ(I)> | 8.1 | 6.6 | 2.4 |
Completeness [%] | 99.7 | 97.9 | 100 |
Redundancy | 5.5 | 5.7 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 25 % PEG 3350, 0.1 M Bis-Tris, 0.2 M MgCl2, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 25 % PEG 3350, 0.1 M Bis-Tris, 0.2 M MgCl2, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |