4H1Z
Crystal structure of putative isomerase from Sinorhizobium meliloti, open loop conformation (target EFI-502104)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-07 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 102.723, 121.702, 137.691 |
| Unit cell angles | 90.00, 99.79, 90.00 |
Refinement procedure
| Resolution | 45.020 - 2.012 |
| R-factor | 0.17356 |
| Rwork | 0.172 |
| R-free | 0.22851 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ppg |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.155 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.012 | 2.012 |
| Rmerge | 0.095 | 0.730 |
| Number of reflections | 220797 | |
| <I/σ(I)> | 9.2 | 1.3 |
| Completeness [%] | 99.2 | 98.9 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 298 | 0.2 M magnesium formate, pH 5.9, 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
