4R9F
CpMnBP1 with Mannobiose Bound
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] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.715, 62.238, 60.025 |
| Unit cell angles | 90.00, 116.51, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.400 |
| R-factor | 0.18328 |
| Rwork | 0.183 |
| R-free | 0.21340 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.983 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.084 | 0.199 |
| Number of reflections | 68503 | |
| <I/σ(I)> | 12.3 | 4.77 |
| Completeness [%] | 98.2 | 96.1 |
| Redundancy | 3.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 282 | 30% polyethylene glycol 1500, 100 mM KCl, 20 mM HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 282K |
