2C3C
2.01 Angstrom X-ray crystal structure of a mixed disulfide between coenzyme M and NADPH-dependent oxidoreductase 2-ketopropyl coenzyme M carboxylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-01-01 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.060, 60.020, 105.960 |
| Unit cell angles | 90.00, 102.43, 90.00 |
Refinement procedure
| Resolution | 36.990 - 2.150 |
| R-factor | 0.181 |
| Rwork | 0.181 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mo9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.040 |
| Rmerge | 0.080 | 0.240 |
| Number of reflections | 62300 | |
| <I/σ(I)> | 6.6 | 2.5 |
| Completeness [%] | 98.2 | 82.8 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 0.1 M AMMONIUM ACETATE 0.085M SODIUM CITRATE PH 5.6 25% PEG4000 30% GLYCEROL |
