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 |
