3FPJ
Crystal Structure of E81Q mutant of MtNAS in complex with S-ADENOSYLMETHIONINE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-28 |
Detector | MARRESEARCH |
Wavelength(s) | 0.93300 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.600, 68.980, 147.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.800 - 1.800 |
R-factor | 0.228 |
Rwork | 0.225 |
R-free | 0.28400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fpe |
RMSD bond length | 0.027 |
RMSD bond angle | 2.506 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.801 | 29.800 | 1.900 |
High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
Rmerge | 0.077 | 0.032 | 0.376 |
Total number of observations | 8597 | 42893 | |
Number of reflections | 61711 | ||
<I/σ(I)> | 5.95 | 17.9 | 1.9 |
Completeness [%] | 99.8 | 96.5 | 100 |
Redundancy | 4.7 | 4.2 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 294 | 22% PEG 3350, 400mM NaBr, pH 8, vapor diffusion, hanging drop, temperature 294K |