5KB3
1.4 A resolution structure of Helicobacter Pylori MTAN in complexed with p-ClPh-DADMe-ImmA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2015-10-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 81.207, 81.207, 67.254 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.760 - 1.399 |
| R-factor | 0.1402 |
| Rwork | 0.139 |
| R-free | 0.17010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nm5 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.821 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.760 | 1.420 |
| High resolution limit [Å] | 1.399 | 1.400 |
| Rmerge | 0.050 | |
| Number of reflections | 50579 | |
| <I/σ(I)> | 12.6 | 4.6 |
| Completeness [%] | 99.3 | 98.9 |
| Redundancy | 10.8 | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 100 mM HEPES pH 7.5, 18 % w/v polyethylene glycol 550 monomethyl ether, and 95 mM magnesium chloride hexahydrate. |
