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 |