2CD7
Staphylococcus aureus pI258 arsenate reductase (ArsC) H62Q mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-18 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.662, 33.226, 100.601 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.900 - 1.500 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ljl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.192 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.030 | 0.220 |
| Number of reflections | 16688 | |
| <I/σ(I)> | 20.8 | 6.3 |
| Completeness [%] | 89.2 | 91 |
| Redundancy | 4.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 100 MM TRIS/HCL, PH 8.0, 10 MM DTT, 42.5 % (WT/VOL) POLYETHYLENE GLYCOL 4000 |
