3TWO
The crystal structure of CAD from Helicobacter pylori complexed with NADP(H)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6C1 |
| Synchrotron site | PAL/PLS |
| Beamline | 6C1 |
| Detector technology | CCD |
| Collection date | 2009-12-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.410, 85.680, 100.491 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.310 - 2.180 |
| R-factor | 0.17594 |
| Rwork | 0.173 |
| R-free | 0.22593 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yqd |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.945 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | |
| High resolution limit [Å] | 2.180 | 2.182 |
| Rmerge | 0.136 | 0.136 |
| Number of reflections | 38962 | |
| <I/σ(I)> | 9.5 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.3 | 14.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1M Bis-Tris(pH6.5), 0.2M MgCl2, 19% PEG3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
