3UT6
Crystal structure of E. Coli PNP complexed with PO4 and formycin A
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 | 2010-03-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9537 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 120.769, 120.769, 239.082 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.596 - 1.895 |
R-factor | 0.1635 |
Rwork | 0.163 |
R-free | 0.18710 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.174 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
High resolution limit [Å] | 1.895 | 5.160 | 1.900 |
Rmerge | 0.146 | 0.058 | |
Number of reflections | 80026 | ||
<I/σ(I)> | 5.4 | ||
Completeness [%] | 99.5 | 97.4 | 100 |
Redundancy | 8.8 | 7.4 | 9.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 5.2 | 291 | 50mM citrate buffer, 35% ammonium phosphate (w/v), pH 5.2, hanging drop, temperature 291K |