3TUJ
Inward facing conformations of the MetNI methionine ABC transporter: DM crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-01-15 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97901 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 155.750, 164.130, 212.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.852 - 4.000 |
R-factor | 0.2618 |
Rwork | 0.259 |
R-free | 0.29530 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.288 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASER (EP/MR) |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 129.791 | 19.852 | 4.060 |
High resolution limit [Å] | 3.850 | 12.170 | 3.850 |
Rmerge | 0.021 | 0.021 | |
Total number of observations | 10035 | 63181 | |
Number of reflections | 25904 | ||
<I/σ(I)> | 14.3 | 13.6 | 0.4 |
Completeness [%] | 99.3 | 77.2 | 100 |
Redundancy | 16.5 | 14.6 | 16.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.5mM TCEP, 0.1M sodium chloride, 0.1M magnesium chloride, 0.1M HEPES, pH 7.5, 33% v/v polyethylene glycol 400, VAPOR DIFFUSION, SITTING DROP, temperature 293K |