3Q1G
Crystal Structure of BoxB crystallized with PEG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-07-08 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 209.660, 76.770, 147.830 |
| Unit cell angles | 90.00, 109.43, 90.00 |
Refinement procedure
| Resolution | 43.700 - 2.500 |
| R-factor | 0.20735 |
| Rwork | 0.206 |
| R-free | 0.23498 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pf7 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.317 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.700 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.131 | |
| Number of reflections | 76352 | |
| <I/σ(I)> | 8.56 | |
| Completeness [%] | 99.0 | 96.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 13% PEG 4000 0.1M sodium acetate, pH 4.6 0.1M Li2SO4 18% glycerol 5 mM benzoyl-CoA 0.1 mg/ml BoxA 0.1 M KCl 10 mM Pipes, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
