6BSN
Structure of proline utilization A (PutA) with proline bound in remote sites
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-05 |
Detector | NOIR-1 |
Wavelength(s) | 1.00 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 166.757, 194.210, 108.738 |
Unit cell angles | 90.00, 121.39, 90.00 |
Refinement procedure
Resolution | 47.019 - 2.150 |
R-factor | 0.2102 |
Rwork | 0.209 |
R-free | 0.23900 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3haz |
RMSD bond length | 0.007 |
RMSD bond angle | 0.890 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.020 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.089 | 0.787 |
Rmeas | 0.105 | 0.975 |
Rpim | 0.054 | 0.563 |
Number of reflections | 311518 | 7418 |
<I/σ(I)> | 8.7 | |
Completeness [%] | 99.5 | 94.1 |
Redundancy | 3.7 | 2.9 |
CC(1/2) | 0.996 | 0.649 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 2 M ammonium sulfate and 0.1 M Tris |