5CIM
Structure of Mycobacterium thermoresistibile GlgE in complex with maltose (cocrystallisation with maltose-1-phosphate) at 3.32A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-11 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.537, 112.967, 221.433 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.630 - 3.320 |
| R-factor | 0.1801 |
| Rwork | 0.178 |
| R-free | 0.21370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cgm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.210 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT (BUSTER 2.10.0) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 221.433 | 221.433 | 3.500 |
| High resolution limit [Å] | 3.318 | 10.490 | 3.318 |
| Rmerge | 0.018 | 0.597 | |
| Rmeas | 0.103 | ||
| Rpim | 0.045 | 0.011 | 0.318 |
| Total number of observations | 149129 | 4539 | 22179 |
| Number of reflections | 29571 | ||
| <I/σ(I)> | 16 | 52.4 | 3.1 |
| Completeness [%] | 99.8 | 98.7 | 99.8 |
| Redundancy | 5 | 4.3 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG300, citrate-phosphate buffer pH4.0 |
