8HQA
Crystal structure of the ectodomain of the MlaD protein from Escherichia coli in the resting state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2019-12-12 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 64.280, 64.280, 231.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.930 - 3.200 |
| R-factor | 0.21008 |
| Rwork | 0.206 |
| R-free | 0.27543 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.812 |
| Data reduction software | MOSFLM (7.4.0) |
| Data scaling software | Aimless (0.7.9) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.020 | 3.420 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.166 | 0.552 |
| Rmeas | 0.175 | 0.582 |
| Rpim | 0.053 | 0.177 |
| Total number of observations | 86434 | 15458 |
| Number of reflections | 8680 | 1516 |
| <I/σ(I)> | 9.6 | 3.5 |
| Completeness [%] | 99.8 | |
| Redundancy | 10 | 10.2 |
| CC(1/2) | 0.994 | 0.934 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8.5 | 293 | 0.01 M nickel(II) chloride hexahydrate, 0.1 M tris pH 8.5, 20% (w/v) PEG monoethyl ether 2000 |
