8RHR
E.coli Peptide Deformylase with bound inhibitor BB4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 1022-08-29 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.91977 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 54.850, 54.850, 228.580 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.510 - 1.420 |
R-factor | 0.1639 |
Rwork | 0.163 |
R-free | 0.18650 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.014 |
RMSD bond angle | 1.274 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.510 | 1.460 |
High resolution limit [Å] | 1.420 | 1.420 |
Rmeas | 0.066 | 3.260 |
Number of reflections | 72634 | 5371 |
<I/σ(I)> | 27.84 | 0.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 36.9 | |
CC(1/2) | 1.000 | 0.452 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.2 | 1 ul of protein solution (10 ug/ul) was mixed with 1 ul reservoir solution (0.17 M ammonium sulfate, 25.5% (w/v) PEG4000, 15% (v/v) glycerol); soaking was performed for appr. 22 hours at 291.2K with 1 ul of stock solution (30 mM) added to the sitting drop well |