4ATV
STRUCTURE OF A TRIPLE MUTANT OF THE NHAA DIMER, CRYSTALLISED AT LOW PH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-05-27 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 115.760, 99.400, 140.230 |
| Unit cell angles | 90.00, 97.35, 90.00 |
Refinement procedure
| Resolution | 56.980 - 3.500 |
| R-factor | 0.288 |
| Rwork | 0.287 |
| R-free | 0.31270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PRELIMINARY MODEL |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.941 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.000 | 3.540 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.040 | 1.110 |
| Number of reflections | 37951 | |
| <I/σ(I)> | 22 | 1.4 |
| Completeness [%] | 94.6 | 69.5 |
| Redundancy | 8.2 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3.8 | 0.1 M SODIUM CITRATE PH 3.8, 0.1 M LIS04 AND 26% PEG 400 WITH 1% FACADE-EM AND 1% HEPTYL-THIOL-B-D-GLUCOSIDE AS ADDITIVES |
