3HRU
Crystal Structure of ScaR with bound Zn2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-11 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.2131 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 70.700, 70.700, 301.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.990 - 2.900 |
| Rwork | 0.230 |
| R-free | 0.29200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hrs |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.411 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.4LDz) |
| Phasing software | CNS |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.990 | 49.990 | 3.000 |
| High resolution limit [Å] | 2.900 | 6.240 | 2.900 |
| Rmerge | 0.071 | 0.040 | 0.449 |
| Total number of observations | 12359 | 5977 | |
| Number of reflections | 17514 | ||
| <I/σ(I)> | 21.7 | 2 | |
| Completeness [%] | 96.9 | 98.4 | 79.2 |
| Redundancy | 6.17 | 6.18 | 4.28 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 6 | 298 | 1.6 M lithium sulfate, 0.05 M sodium cacodylate in the presence of 1 mM MnCl2 and 1 mM duplex DNA, pH 6.0, hanging drop, temperature 298K |
