3SXP
Crystal Structure of Helicobacter pylori ADP-L-glycero-D-manno-heptose-6-epimerase (rfaD, HP0859)
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 | 2011-05-05 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 130.940, 106.770, 152.220 |
Unit cell angles | 90.00, 108.35, 90.00 |
Refinement procedure
Resolution | 53.390 - 2.550 |
R-factor | 0.239 |
Rwork | 0.239 |
R-free | 0.27900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eq2 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.380 | 2.690 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.096 | 0.408 |
Number of reflections | 55485 | |
<I/σ(I)> | 4.8 | 1.8 |
Completeness [%] | 86.0 | 70.2 |
Redundancy | 2.3 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.6 | 298 | 0.2 M Ammonium Sulphate, 0.1M Tri Sodium citrate pH 5.6, 15% (w/v), PEG 4000, VAPOR DIFFUSION, temperature 298K |