1SD4
Crystal Structure of a SeMet derivative of BlaI at 2.0 A
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-03-23 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 0.9792, 0.9795, 0.9611 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 64.412, 116.362, 40.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.300 - 2.000 |
| R-factor | 0.20468 |
| Rwork | 0.203 |
| R-free | 0.23718 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.358 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.061 | 0.510 |
| Number of reflections | 20786 | |
| <I/σ(I)> | 52.8 | 3.7 |
| Completeness [%] | 98.4 | 94.5 |
| Redundancy | 13.7 | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 291 | ammonium sulfate, glycerol, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
