4YCD
Structure of a single tryptophan mutant of Acetobacter aceti PurE with Y154F
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-03 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 100.336, 100.336, 165.712 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.389 - 1.643 |
R-factor | 0.1379 |
Rwork | 0.137 |
R-free | 0.15670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ycb |
RMSD bond length | 0.009 |
RMSD bond angle | 1.230 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.389 | 1.680 |
High resolution limit [Å] | 1.628 | 1.650 |
Rmerge | 0.064 | 0.538 |
Number of reflections | 51530 | |
<I/σ(I)> | 26.8 | 3.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.1 | 8.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 295 | 25% (v/v) PEG 4000, 0.1 M Tris-HCl, 0.2 M lithium sulfate |