4WBD
The crystal structure of BshC from Bacillus subtilis complexed with citrate and ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 82.530, 92.160, 87.377 |
| Unit cell angles | 90.00, 116.83, 90.00 |
Refinement procedure
| Resolution | 26.800 - 1.770 |
| R-factor | 0.1696 |
| Rwork | 0.168 |
| R-free | 0.19830 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.673 |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.800 | 1.810 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.068 | 0.479 |
| Number of reflections | 56473 | |
| <I/σ(I)> | 11 | 2.8 |
| Completeness [%] | 99.4 | 99 |
| Redundancy | 4.6 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.2 M tribasic sodium citrate, 10% PEG 3350, 7.5 mg/mL |
