3FPG
Crystal Structure of E81Q mutant of MtNAS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-02 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.96850 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.696, 67.498, 147.652 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.390 - 2.000 |
R-factor | 0.196 |
Rwork | 0.193 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fpe |
RMSD bond length | 0.020 |
RMSD bond angle | 1.692 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 67.574 | 67.570 | 2.110 |
High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
Rmerge | 0.127 | 0.062 | 0.554 |
Total number of observations | 5570 | 26661 | |
Number of reflections | 36210 | ||
<I/σ(I)> | 4.574 | 9.4 | 1.3 |
Completeness [%] | 83.9 | 73.8 | 87 |
Redundancy | 5 | 5.2 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 294 | 20% PEG 3350, 200mM NaK Tartrate, 100mM BisTrisPropane, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |