6MBN
LptB E163Q in complex with ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-12-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 65.351, 137.585, 100.971 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.852 - 1.957 |
R-factor | 0.1888 |
Rwork | 0.187 |
R-free | 0.21870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4p33 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.23) |
Phasing software | PHASER (2.8.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.970 | 100.970 | 2.010 |
High resolution limit [Å] | 1.960 | 8.970 | 1.960 |
Rmerge | 0.114 | 0.022 | 1.476 |
Rmeas | 0.133 | 0.026 | 1.751 |
Rpim | 0.068 | 0.013 | 0.925 |
Total number of observations | 118625 | 1276 | 7336 |
Number of reflections | 32858 | 379 | 2206 |
<I/σ(I)> | 9.4 | 34.1 | 0.9 |
Completeness [%] | 99.2 | 95.5 | 94.8 |
Redundancy | 3.6 | 3.4 | 3.3 |
CC(1/2) | 0.997 | 0.999 | 0.381 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 27.5% PEG 4000, 0.6M NaCl, 50mM MES pH = 7.0, 2mM ATP, 1mM EDTA |