4BE1
PFV intasome with inhibitor XZ-116
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-27 |
| Detector | ADSC CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 161.030, 161.030, 123.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.920 - 2.710 |
| R-factor | 0.18158 |
| Rwork | 0.180 |
| R-free | 0.21340 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3L2T |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.606 |
| 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 | 2.860 |
| High resolution limit [Å] | 2.710 | 2.710 |
| Rmerge | 0.070 | 0.550 |
| Number of reflections | 41616 | |
| <I/σ(I)> | 10.2 | 2 |
| Completeness [%] | 98.7 | 98.6 |
| Redundancy | 3.3 | 3 |
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 |
