3O4U
Crystal Structure of HePTP with an Atypically Open WPD Loop
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.100 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 119.035, 39.207, 83.981 |
Unit cell angles | 90.00, 124.23, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.250 |
R-factor | 0.19255 |
Rwork | 0.190 |
R-free | 0.24290 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3o4s |
RMSD bond length | 0.008 |
RMSD bond angle | 1.078 |
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 | 2.290 |
High resolution limit [Å] | 2.250 | 2.250 |
Number of reflections | 15543 | |
<I/σ(I)> | 14.5 | 2.6 |
Completeness [%] | 99.0 | 87.7 |
Redundancy | 4.2 | 3 |
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 |