1PVF
E.coli IPP isomerase in complex with diphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-04-12 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9798 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.090, 71.880, 91.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.780 |
R-factor | 0.197 |
Rwork | 0.188 |
R-free | 0.23650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.022 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 1.820 |
High resolution limit [Å] | 1.780 | 1.780 |
Number of reflections | 31276 | |
Completeness [%] | 84.2 | 70.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295 | PEG 2000 MGCL2 MNCL2 AMMONIUM SULFATE, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |