7F6N
Crystal structure of metal-citrate-binding mutant (S26A) protein (MctA) of ABC transporter endogenously bound to Mg2+-citrate complex
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 | 2019-01-28 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.510, 142.920, 79.270 |
Unit cell angles | 90.00, 100.51, 90.00 |
Refinement procedure
Resolution | 71.560 - 2.300 |
R-factor | 0.1969 |
Rwork | 0.195 |
R-free | 0.24230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7f6e |
RMSD bond length | 0.011 |
RMSD bond angle | 1.663 |
Data reduction software | MOSFLM (7.3.0) |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 77.940 | 77.940 | 2.380 |
High resolution limit [Å] | 2.300 | 8.910 | 2.300 |
Rmerge | 0.186 | 0.126 | 0.528 |
Rmeas | 0.211 | 0.143 | 0.601 |
Rpim | 0.098 | 0.066 | 0.284 |
Total number of observations | 194948 | 3351 | 19012 |
Number of reflections | 43237 | 763 | 4260 |
<I/σ(I)> | 7.7 | 13.2 | 2.9 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 4.5 | 4.4 | 4.5 |
CC(1/2) | 0.974 | 0.980 | 0.770 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M ammonium fluoride, 20% PEG 3350 |