3R0I
IspC in complex with an N-methyl-substituted hydroxamic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR-H |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-12 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.254, 54.584, 107.798 |
| Unit cell angles | 90.00, 93.17, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.100 |
| R-factor | 0.16593 |
| Rwork | 0.163 |
| R-free | 0.21659 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1onn |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.050 |
| Data reduction software | PROTEUM PLUS (PLUS) |
| Data scaling software | PROTEUM PLUS (PLUS) |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.072 | 0.403 |
| Number of reflections | 62350 | |
| <I/σ(I)> | 2.6 | |
| Completeness [%] | 99.9 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293 | 8% PEG 4K, 80 mM NaAc, 110mM HEPES, 100 mM Glycine, 100 mM Guanidinium-HCl, 10mM EDTA, 12mM DTT, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
