3IIQ
Crystallographic analysis of bacterial signal peptidase in ternary complex with Arylomycin A2 and a beta-sultam inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-01-01 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 70.007, 70.007, 259.894 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.400 - 2.000 |
R-factor | 0.21 |
Rwork | 0.207 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1T7D CHAIN A WITH LIGANDS REMOVED |
RMSD bond length | 0.030 |
RMSD bond angle | 2.348 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.400 | 2.140 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.068 | 0.430 |
Number of reflections | 40272 | |
<I/σ(I)> | 10.4 | 5.1 |
Completeness [%] | 95.2 | 95.1 |
Redundancy | 7.1 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 0.2M NH4 FORMATE, 25% PEG 2000, 0.1M NA CACODYLATE PH 6.5, AND 5% TERTIARY-AMYL ALCOHOL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291K |