8HQ9
Crystal structure of the MlaD domain of the MlaD protein from Escherichia coli (Form II)
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 | 2020-01-07 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 60.420, 106.950, 117.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 78.980 - 2.700 |
R-factor | 0.20686 |
Rwork | 0.204 |
R-free | 0.26108 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.827 |
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] | 79.100 | 2.830 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.148 | 0.612 |
Rmeas | 0.157 | 0.650 |
Rpim | 0.052 | 0.216 |
Total number of observations | 190212 | 24884 |
Number of reflections | 21557 | 2805 |
<I/σ(I)> | 12.6 | 3.9 |
Completeness [%] | 100.0 | |
Redundancy | 8.8 | 8.9 |
CC(1/2) | 0.996 | 0.943 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5 | 293 | 0.2 M magnesium chloride hexahydrate, 0.1 M sodium citrate tribasic dihyrate pH 5.0, 10% (w/v) PEG 20000 |