3A2M
CRYSTAL STRUCTURE OF DBJA (WILD TYPE Type I)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-20 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 125.577, 48.866, 106.580 |
Unit cell angles | 90.00, 97.36, 90.00 |
Refinement procedure
Resolution | 33.700 - 1.840 |
R-factor | 0.156 |
Rwork | 0.154 |
R-free | 0.18700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3A1O |
RMSD bond length | 0.014 |
RMSD bond angle | 1.495 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.700 | 1.920 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.063 | 0.254 |
Number of reflections | 55824 | |
<I/σ(I)> | 10.7 | |
Completeness [%] | 99.9 | 99.3 |
Redundancy | 4.9 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 293 | PEG 4000, PH 7.9, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |