4R9G
CpMnBP1 with Mannotriose 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 | 2012-04-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.331, 101.744, 67.775 |
Unit cell angles | 90.00, 116.71, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.200 |
R-factor | 0.20137 |
Rwork | 0.201 |
R-free | 0.26501 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.361 |
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 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.083 | 0.441 |
Number of reflections | 37393 | |
<I/σ(I)> | 14.3 | 2 |
Completeness [%] | 96.2 | 80.9 |
Redundancy | 2.7 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 282 | 30% polyethylene glycol 1500, 100 mM KCl, 20 mM HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 282K |