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 | 2006-10-13 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97950 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.204, 94.274, 66.496 |
Unit cell angles | 90.00, 99.22, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.180 |
R-factor | 0.19 |
Rwork | 0.187 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1boa |
RMSD bond length | 0.010 |
RMSD bond angle | 1.314 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.260 |
High resolution limit [Å] | 2.180 | 4.700 | 2.180 |
Rmerge | 0.101 | 0.073 | 0.302 |
Number of reflections | 37519 | ||
<I/σ(I)> | 9.946 | ||
Completeness [%] | 94.7 | 99.9 | 78.3 |
Redundancy | 3.2 | 3.7 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30% PEG 4000, 0.2M Ammonium sulfate. Cryosolution: 30% PEG 4000, 0.2M Ammonium sulfate, 10% MPD, VAPOR DIFFUSION, SITTING DROP, temperature 293K |