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 |
