7F6Q
Crystal structure of metal-citrate-binding mutant (S79A) protein (MctA) of ABC transporter in apo 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 | 2019-08-08 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 72.170, 72.170, 114.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.210 - 1.630 |
R-factor | 0.1772 |
Rwork | 0.175 |
R-free | 0.21320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7f6e |
RMSD bond length | 0.018 |
RMSD bond angle | 2.218 |
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] | 42.210 | 42.180 | 1.660 |
High resolution limit [Å] | 1.630 | 8.920 | 1.630 |
Rmerge | 0.055 | 0.017 | 0.231 |
Rmeas | 0.057 | 0.018 | 0.244 |
Rpim | 0.017 | 0.006 | 0.077 |
Total number of observations | 2921 | 20414 | |
Number of reflections | 43745 | 318 | 2113 |
<I/σ(I)> | 24.7 | 47.8 | 5.1 |
Completeness [%] | 100.0 | 99.3 | 99.5 |
Redundancy | 10.4 | 9.2 | 9.7 |
CC(1/2) | 0.999 | 1.000 | 0.979 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.5 | 293 | 0.2 M ammonium sulphate, 0.1 M MES monohydrate pH 6.5, 30% (w/v) PEG monomethyl ether 5000 |