3ND1
Crystal structure of Precorrin-6A synthase from Rhodobacter capsulatus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.117 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.661, 89.283, 107.163 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.440 - 1.500 |
| R-factor | 0.19546 |
| Rwork | 0.194 |
| R-free | 0.21971 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2npn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.197 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.440 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.064 | 0.413 |
| Number of reflections | 95539 | |
| <I/σ(I)> | 15.2 | 3.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.9 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 292 | 0.1M sodium acetate trihydrate, 8% PEG 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
