3NEI
Crystal structure of Precorrin-4 C11-methyltransferase from Rhodobacter capsulatus (no SAH bound)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.011 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 51.046, 54.499, 175.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.500 - 2.500 |
| R-factor | 0.18436 |
| Rwork | 0.181 |
| R-free | 0.24247 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDN ENTRY 3NDC |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.418 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.930 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.142 | 0.305 |
| Number of reflections | 17755 | |
| <I/σ(I)> | 9.9 | 5.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 0.2M Lithium sulfate monohydrate, 0.1M Tris pH 8.5, 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
