5GGD
Crystal structure of Mycobacterium smegmatis MutT1 in complex with phosphate and magnesium ions (excess magnesium, II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.950, 87.600, 90.530 |
| Unit cell angles | 90.00, 100.06, 90.00 |
Refinement procedure
| Resolution | 44.570 - 1.700 |
| R-factor | 0.21834 |
| Rwork | 0.216 |
| R-free | 0.25863 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fjy |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.909 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.570 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 65728 | |
| <I/σ(I)> | 6.6 | 1.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8.5 | 293 | 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS hydrochloride, 30% w/v PEG 4000 |
