1G7U
CRYSTAL STRUCTURES OF KDO8P SYNTHASE IN ITS BINARY COMPLEX WITH SUBSTRATE PHOSPHOENOL PYRUVATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 180 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-12-01 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 117.900, 117.900, 117.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.800 |
| R-factor | 0.231 |
| Rwork | 0.228 |
| R-free | 0.28100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 2.700 |
| High resolution limit [Å] | 2.600 | 2.800 * |
| Rmerge | 0.066 | 0.066 |
| Number of reflections | 7645 | |
| <I/σ(I)> | 6.9 | |
| Completeness [%] | 85.8 * | 85.3 |
| Redundancy | 2.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 * | 23 * | MES 61mM pH 6.1, Glycerol 25% v/v, PEG 400 10% v/v, 3mg/mL PEP, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 0.1 (M) | |
| 2 | 1 | drop | beta-mercaptoethanol | 0.02 (%) | |
| 3 | 1 | drop | sodium azide | 0.02 (%) | |
| 4 | 1 | drop | protein | 45 (mg/ml) | |
| 5 | 1 | reservoir | MOPS | 61 (mM) | |
| 6 | 1 | reservoir | glycerol | 25 (%(v/v)) | |
| 7 | 1 | reservoir | PEG400 | 10 (%(v/v)) | |
| 8 | 1 | reservoir | phosphoenolpyruvate | 10 (mM) |
