1RXG
DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) AND 2-OXOGLUTARATE
Experimental procedure
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 90 |
Detector technology | IMAGE PLATE |
Collection date | 1998-01 |
Detector | MARRESEARCH |
Spacegroup name | H 3 |
Unit cell lengths | 107.700, 107.700, 71.000 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.500 |
R-factor | 0.125 |
R-free | 0.15600 |
Structure solution method | MIR |
RMSD bond length | 0.009 |
RMSD bond angle | 0.027 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXL-97 |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 16.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.054 | 0.256 |
Number of reflections | 42718 | |
<I/σ(I)> | 14.3 | 5 |
Completeness [%] | 97.6 | 99.7 |
Redundancy | 3.8 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 7 | pH 7.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | ammonium sulfate | 1.75 (M) | |
2 | 1 | 1 | 2-oxoglutarate | 5 (mM) | |
3 | 1 | 1 | HEPES | 0.1 (M) |