5O34
ThnE from S.clavuligerus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 113.220, 113.220, 158.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.020 - 2.450 |
| R-factor | 0.214 |
| Rwork | 0.213 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a7k |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.020 | 2.510 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.067 | 1.034 |
| Number of reflections | 71350 | 5065 |
| <I/σ(I)> | 13.36 | |
| Completeness [%] | 98.5 | 94.7 |
| Redundancy | 3.4 | 3.2 |
| CC(1/2) | 0.998 | 0.490 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M citric acid pH 5.5, 1.2M NaCl |
