4HTR
N149W variant of SiRHP bound to sulfite
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-10 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.458, 76.247, 81.382 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.069 - 1.600 |
R-factor | 0.1604 |
Rwork | 0.160 |
R-free | 0.18410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aop |
RMSD bond length | 0.007 |
RMSD bond angle | 1.556 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.590 |
High resolution limit [Å] | 1.560 | 4.230 | 1.560 |
Rmerge | 0.110 | 0.039 | 0.487 |
Number of reflections | 59125 | ||
<I/σ(I)> | 7.7 | ||
Completeness [%] | 99.3 | 99.7 | 90.2 |
Redundancy | 11.2 | 14 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.8 | 298 | PEG8000, pH 7.8, VAPOR DIFFUSION, temperature 298K |