3FPF
Crystal Structure of MtNAS in complex with MTA and tNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-21 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.410, 68.740, 146.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.750 - 1.660 |
R-factor | 0.2 |
Rwork | 0.199 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fpe |
RMSD bond length | 0.012 |
RMSD bond angle | 1.469 |
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] | 44.766 | 44.770 | 1.750 |
High resolution limit [Å] | 1.660 | 5.250 | 1.660 |
Rmerge | 0.069 | 0.032 | 0.282 |
Total number of observations | 8849 | 41475 | |
Number of reflections | 76848 | ||
<I/σ(I)> | 7.034 | 12.7 | 2.6 |
Completeness [%] | 99.3 | 92.1 | 99.8 |
Redundancy | 3.8 | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 22% PEG 3350, 400mM NaBr, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |