2HXG
Crystal Structure of Mn2+ bound ECAI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-06-22 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.97860 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 116.870, 116.870, 215.076 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.800 |
| R-factor | 0.2318 |
| Rwork | 0.229 |
| R-free | 0.28811 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ajt |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.216 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.094 | 0.533 |
| Number of reflections | 80763 | |
| <I/σ(I)> | 18.4 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, Tri-sodium citrate dihydrate, MnCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
