2FZS
Crystal structure of E. coli ClpP with a Peptide Chloromethyl Ketone Covalently Bound at the Active Site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9B |
Synchrotron site | NSLS |
Beamline | X9B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-06-14 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.2547 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 190.700, 101.000, 155.400 |
Unit cell angles | 90.00, 99.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.900 |
R-factor | 0.176 |
Rwork | 0.173 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | : 1TYF |
RMSD bond length | 0.019 |
RMSD bond angle | 1.787 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.051 | 0.373 |
Number of reflections | 215884 | |
<I/σ(I)> | 21.5 | 2.8 |
Completeness [%] | 94.0 | 95.1 |
Redundancy | 3.5 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.1M tri-sodium citrate, 0.15M ammonium acetate, 30% PEG 4000 , pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |