3SGV
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1290
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] | 298 |
Detector technology | CCD |
Collection date | 2010-06-06 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9787 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.139, 69.004, 112.561 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.610 - 1.610 |
R-factor | 0.1757 |
Rwork | 0.174 |
R-free | 0.21360 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.026 |
RMSD bond angle | 2.249 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.640 |
High resolution limit [Å] | 1.610 | 4.370 | 1.610 |
Rmerge | 0.095 | 0.057 | 0.704 |
Number of reflections | 62778 | ||
<I/σ(I)> | 7.2 | ||
Completeness [%] | 97.6 | 99.1 | 80.5 |
Redundancy | 15.2 | 15.4 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 50mM HEPES, pH 7.5, 5% PEG 4,000, vapor diffusion, hanging drop, temperature 298K |