5ZHE
STRUCTURE OF E. COLI UNDECAPRENYL DIPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-981
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.713, 68.449, 109.253 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.180 |
R-factor | 0.20586 |
Rwork | 0.203 |
R-free | 0.26308 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wyj |
RMSD bond length | 0.012 |
RMSD bond angle | 1.728 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.260 |
High resolution limit [Å] | 2.180 | 4.690 | 2.180 |
Rmerge | 0.044 | 0.030 | 0.260 |
Total number of observations | 160471 | ||
Number of reflections | 25466 | ||
<I/σ(I)> | 18.4 | ||
Completeness [%] | 99.5 | 97.6 | 97.6 |
Redundancy | 6.3 | 6 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 20 % ETHYLENE GLYCOL, 2-5% PEG 35K |