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 | 2003-10-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.820, 112.056, 51.881 |
Unit cell angles | 90.00, 110.75, 90.00 |
Refinement procedure
Resolution | 43.020 - 1.650 |
R-factor | 0.16999 |
Rwork | 0.168 |
R-free | 0.20180 |
Structure solution method | MIR |
RMSD bond length | 0.014 |
RMSD bond angle | 1.571 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.990 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.059 | 0.194 |
Number of reflections | 61518 | |
<I/σ(I)> | 15.5 | |
Completeness [%] | 98.5 | 91.2 |
Redundancy | 3.7 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 277 | 10% PEG 3000, 1M CHES pH9.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |