4BE0
PFV intasome with inhibitor XZ-115
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Collection date | 2010-09-18 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 160.120, 160.120, 124.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.220 - 2.680 |
| R-factor | 0.18483 |
| Rwork | 0.183 |
| R-free | 0.21753 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3L2T |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.576 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.820 |
| High resolution limit [Å] | 2.680 | 2.680 |
| Rmerge | 0.090 | 0.770 |
| Number of reflections | 42938 | |
| <I/σ(I)> | 11 | 2 |
| Completeness [%] | 99.3 | 99.8 |
| Redundancy | 4.9 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 1.35 M AMMONIUM SULFATE, 25% (V/V) GLYCEROL, 4.8% (V/V) 1,6-HEXANEDIOL, 50 MM MES-NAOH, 1MM EDTA, PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K |
