4UCG
NmeDAH7PS R126S variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2013-10-05 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.949, 132.660, 147.722 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 98.700 - 2.000 |
| R-factor | 0.18206 |
| Rwork | 0.180 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hsn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.357 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER (MR) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.030 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.150 | |
| Number of reflections | 105375 | |
| <I/σ(I)> | 15.2 | 1.5 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 14.8 | 14.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.3 | 0.1 M TRIS HCL (PH 7.3), 0.2 M TRIMETHYL-AMINO-N-OXIDE (TMAO), 600UM MNSO4 AND 15-20% (W/V) PEG 2000MME |
