3VVP
Crystal structure of MATE in complex with Br-NRF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-16 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.910 |
| Spacegroup name | P 6 |
| Unit cell lengths | 122.368, 122.368, 110.384 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.951 - 2.910 |
| R-factor | 0.2888 |
| Rwork | 0.285 |
| R-free | 0.32640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vvn |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.697 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 7.860 | 2.900 |
| Rmerge | 0.291 | 0.085 | |
| Number of reflections | 20596 | ||
| <I/σ(I)> | 3.9 | ||
| Completeness [%] | 99.9 | 99.3 | 100 |
| Redundancy | 21.1 | 20.3 | 20.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | lipdic cubic phase | 8 | 293 | 28% PEG 550MME, 100mM Tris-HCl, 100mM Li2SO4, pH 8.0, lipdic cubic phase, temperature 293K |
