1E5I
DELTA-R306 DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH IRON AND 2-OXOGLUTARATE.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-03-26 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | H 3 |
Unit cell lengths | 105.787, 105.787, 71.222 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.990 - 2.100 |
R-factor | 0.227 |
Rwork | 0.227 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rxf |
RMSD bond length | 0.012 |
RMSD bond angle | 1.300 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS (RIGID BODY REFINEMENT) |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.110 |
High resolution limit [Å] | 2.100 | 2.000 |
Rmerge | 0.108 | 0.423 |
Number of reflections | 17034 | |
<I/σ(I)> | 3.98 | 6.29 |
Completeness [%] | 99.9 | 100 |
Redundancy | 3.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 100 MM HEPES-NAOH, PH 7.0, 0.5 MM PB(OAC)2(OH2)2, 5 MM 2-OXOGLUTARATE, GLYCEROL 5-10% (W/V), 1.4-1.65 M AMMONIUM SULPHATE |