Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-12-07 |
Detector | MARRESEARCH |
Wavelength(s) | 0.979682, 0.979558, 0.977769 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.930, 203.710, 100.050 |
Unit cell angles | 90.00, 112.05, 90.00 |
Refinement procedure
Resolution | 32.831 - 2.500 |
R-factor | 0.1567 |
Rwork | 0.153 |
R-free | 0.22420 |
Structure solution method | MAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.008 |
RMSD bond angle | 1.326 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SnB |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 101.860 | 2.670 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.130 | 0.570 |
Number of reflections | 2309530 | |
<I/σ(I)> | 22.14 | 3.62 |
Completeness [%] | 95.9 | 84.6 |
Redundancy | 23.26 | 12.34 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293 | PEG 8000, SODIUM CHLORIDE, NADH, SPERMINE TETRA-HCL, TRIS, PH 7.6, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K |