2CA9
apo-NIKR from helicobacter pylori in closed trans-conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 71.055, 71.055, 229.023 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 61.550 - 2.050 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NIKR FROM HELICOBACTER PYLORI SOLVED BY SAD METHOD USING MERCURY DERIVATIVE. |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.673 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.550 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.080 | 0.440 |
| Number of reflections | 24159 | |
| <I/σ(I)> | 8 | 1.7 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 5.4 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.8 | 0.9-1 M NA-FORMATE, O.1 M NA-CITRATE PH 4 |
