1GWS
hexadecaheme high molecular weight cytochrome Hmc from Desulfovibrio vulgaris Hildenborough
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-05-15 |
Detector | MARRESEARCH |
Spacegroup name | P 62 |
Unit cell lengths | 108.386, 108.386, 102.809 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.520 - 2.420 * |
Rwork | 0.201 |
R-free | 0.27800 * |
Structure solution method | MAD |
RMSD bond length | 0.028 |
RMSD bond angle | 2.675 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | SHARP |
Refinement software | REFMAC (5.0.36) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.000 | 2.590 |
High resolution limit [Å] | 2.420 * | 2.500 |
Rmerge | 0.061 * | 0.331 * |
Number of reflections | 23044 | |
<I/σ(I)> | 7.3 | 1.9 |
Completeness [%] | 99.4 * | 99.2 * |
Redundancy | 7.6 * | 7.5 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 30% JEFFAMINE M-600, MES PH 6.5, 50 MM CSCL |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | Jeffamine M-600 | 30 (%) | |
2 | 1 | reservoir | cesium chloride | 50 (mM) | |
3 | 1 | reservoir | MES | 100 (mM) | pH6.5 |
4 | 1 | drop | protein | 6 (mg/ml) |