3O4S
Crystal Structure of HePTP with a Closed WPD Loop and an Ordered E-Loop
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-23 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 117.795, 39.130, 83.441 |
Unit cell angles | 90.00, 124.29, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.16425 |
Rwork | 0.162 |
R-free | 0.21214 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2qdm |
RMSD bond length | 0.012 |
RMSD bond angle | 1.306 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC (5.2.0019) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 25241 | |
<I/σ(I)> | 13.8 | 3.5 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 3.7 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 1.7-1.9M ammonium sulfate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |