4K7Z
Crystal structure of the C136(42)A/C141(47)A double mutant of Tn501 MerA in complex with NADP 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 | 86.584, 86.584, 137.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.870 - 1.500 |
| R-factor | 0.1817 |
| Rwork | 0.181 |
| R-free | 0.20640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3grs |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.299 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.050 | 0.560 |
| Number of reflections | 83679 | |
| <I/σ(I)> | 30 | 1.74 |
| Completeness [%] | 99.3 | 92.4 |
| Redundancy | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.4 | 295 | 2.0M AMMONIA Sulfate, 0.1M Tris pH9.4, vapor diffusion hanging drop, temperature 295K, VAPOR DIFFUSION, HANGING DROP |
