4TTJ
Crystal structure of double mutant E. Coli purine nucleoside phosphorylase with 6 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) | 0.95373 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 120.696, 120.696, 239.538 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.140 - 1.874 |
R-factor | 0.1575 |
Rwork | 0.157 |
R-free | 0.19370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k9s |
RMSD bond length | 0.007 |
RMSD bond angle | 1.138 |
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] | 48.140 | 1.930 | |
High resolution limit [Å] | 1.820 | 5.430 | 1.820 |
Rmerge | 0.352 | 0.263 | 1.076 |
Rmeas | 0.363 | 0.272 | 1.109 |
Total number of observations | 1745809 | ||
Number of reflections | 93755 | 3971 | 14191 |
<I/σ(I)> | 7.61 | 12.9 | 2.6 |
Completeness [%] | 98.9 | 99.5 | 94.1 |
Redundancy | 18.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 291 | 50 mM citric buffer, 32 % ammonium sulphate |