4TTI
Crystal structure of double mutant E. Coli purine nucleoside phosphorylase with 4 FMC molecules
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-12 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97977 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.933, 124.174, 189.436 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.700 - 1.890 |
R-factor | 0.1688 |
Rwork | 0.167 |
R-free | 0.21030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k9s |
RMSD bond length | 0.007 |
RMSD bond angle | 1.168 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.800 | 2.000 | |
High resolution limit [Å] | 1.890 | 5.640 | 1.890 |
Rmerge | 0.169 | 0.034 | 1.212 |
Rmeas | 0.184 | 0.037 | 1.368 |
Total number of observations | 757830 | ||
Number of reflections | 116237 | 4779 | 17364 |
<I/σ(I)> | 10.89 | 43.3 | 1.2 |
Completeness [%] | 98.7 | 99.7 | 92.3 |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 291 | 50 mM citric buffer, 34 % ammonium sulphate |