4H2J
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1354
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] | 100 |
Detector technology | CCD |
Collection date | 2011-11-18 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.160, 68.961, 111.735 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.390 - 1.810 |
R-factor | 0.1992 |
Rwork | 0.197 |
R-free | 0.23390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2e98 |
RMSD bond length | 0.023 |
RMSD bond angle | 2.262 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASES |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.840 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.076 | 0.698 |
Number of reflections | 45055 | |
<I/σ(I)> | 27.8 | 4.7 |
Completeness [%] | 99.6 | 100 |
Redundancy | 8.8 | 9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 5% PEG4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |