6FUU
Transcriptional regulator LmrR with bound heme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-21 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 35.145, 35.145, 180.668 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.498 - 1.750 |
| R-factor | 0.2137 |
| Rwork | 0.212 |
| R-free | 0.23660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f8c |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.976 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.170 | 45.170 | 1.780 |
| High resolution limit [Å] | 1.750 | 9.090 | 1.750 |
| Rmerge | 0.074 | 0.068 | 0.644 |
| Rmeas | 0.078 | 0.074 | 0.684 |
| Rpim | 0.025 | 0.026 | 0.225 |
| Total number of observations | 112667 | 911 | 5393 |
| Number of reflections | 12313 | 134 | 631 |
| <I/σ(I)> | 16.3 | 24.8 | 3.1 |
| Completeness [%] | 99.6 | 99 | 97.8 |
| Redundancy | 9.1 | 6.8 | 8.5 |
| CC(1/2) | 0.997 | 0.993 | 0.879 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 100 mM cacodylate, 300 mM sodium acetate, 25% PEG 200 MME, 200 uM hemin |
