1C4C
BINDING OF EXOGENOUSLY ADDED CARBON MONOXIDE AT THE ACTIVE SITE OF THE FE-ONLY HYDROGENASE (CPI) FROM CLOSTRIDIUM PASTEURIANUM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-04-15 |
Detector | MACSCIENCE |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 133.500, 83.800, 55.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.400 |
R-factor | 0.193 |
Rwork | 0.193 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1feh |
RMSD bond length | 2.480 |
RMSD bond angle | 0.010 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.857) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.510 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.052 | 0.130 |
Total number of observations | 234583 * | |
Number of reflections | 24879 | |
Completeness [%] | 97.0 | 79.1 |
Redundancy | 9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch method * | 4.6 * | pH 5.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | PEG4000 | 25 (%) | |
2 | 1 | 1 | sodium acetate | 0.1 (M) | |
3 | 1 | 1 | ammonium acetate | 0.2 (M) |