3FPH
Crystal Structure of E81Q mutant of MtNAS in complex with L-Glutamate
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 | 2008-06-17 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.96850 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.198, 69.785, 146.506 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.300 - 1.800 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fpe |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.611 |
| 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] | 66.227 | 69.840 | 1.900 |
| High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
| Rmerge | 0.069 | 0.033 | 0.468 |
| Total number of observations | 7565 | 40256 | |
| Number of reflections | 61535 | ||
| <I/σ(I)> | 5.415 | 19.2 | 1.6 |
| Completeness [%] | 97.4 | 79.4 | 99.9 |
| Redundancy | 4.4 | 4.5 | 4.4 |
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 |
