Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 |
Unit cell lengths | 123.110, 123.110, 210.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.294 - 2.900 |
R-factor | 0.20975 |
Rwork | 0.208 |
R-free | 0.24080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1inl |
RMSD bond length | 0.017 |
RMSD bond angle | 1.565 |
Refinement software | REFMAC (5.6.0070) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.970 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.087 | 0.391 |
Number of reflections | 69092 | |
<I/σ(I)> | 20.975 | |
Completeness [%] | 95.3 | 94.7 |
Redundancy | 10.6 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.5M LiSO4, 0.1M Na Hepes, pH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |