3E2R
Crystal Structure PutA86-630 Mutant Y540S Complexed with L-tetrahydro-2-furoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97922 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 72.648, 140.102, 146.665 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.159 - 1.850 |
R-factor | 0.199 |
Rwork | 0.198 |
R-free | 0.22700 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.962 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 99.000 | 99.000 | 1.920 |
High resolution limit [Å] | 1.850 | 3.990 | 1.850 |
Rmerge | 0.059 | 0.024 | 0.481 |
Number of reflections | 63740 | ||
Completeness [%] | 99.5 | 99.7 | 95.7 |
Redundancy | 6.1 | 5.9 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 298 | 100 mM citrate buffer pH 5.8-6.0, 15-18% PEG 3350, vapor diffusion, temperature 298K, VAPOR DIFFUSION |