4K8D
Crystal structure of the C558(464)A/C559(465)A double mutant of Tn501 MerA in complex with NADPH and Hg2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.90 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 86.922, 86.922, 137.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.360 - 1.860 |
| R-factor | 0.16815 |
| Rwork | 0.167 |
| R-free | 0.20342 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3grs |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.415 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | GLRF |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 1.890 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.064 | 0.561 |
| Number of reflections | 45046 | |
| <I/σ(I)> | 32.8 | 4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.4 | 295 | 2.0M AMMONIA Sulfate, 0.1M Tris, pH 9.4, vapor diffusion hanging drop, temperature 295K |
