4N0Q
Crystal Structure of an ABC transporter, substrate-binding protein from Brucella melitensis 16M in complex with L-Leucine using a crystal grown in a Crystal Former (Microlytic)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-06 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.500, 59.850, 147.900 |
Unit cell angles | 90.00, 91.22, 90.00 |
Refinement procedure
Resolution | 19.930 - 2.300 |
R-factor | 0.21518 |
Rwork | 0.212 |
R-free | 0.26875 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ipc |
RMSD bond length | 0.012 |
RMSD bond angle | 1.373 |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.2) |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.360 | |
High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
Rmerge | 0.088 | 0.036 | 0.220 |
Number of reflections | 53389 | ||
<I/σ(I)> | 11.67 | 24.33 | 4.7 |
Completeness [%] | 98.0 | 96 | 83.3 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROFLUIDIC | 5.5 | 294 | SuperCOMBI(b4): 0.2 M magnesium chloride, 0.1 M Bis-Tris-HCl, pH 5.5, 25% PEG3350, MICROFLUIDIC, temperature 294K |