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 |