1DKR
CRYSTAL STRUCTURES OF BACILLUS SUBTILIS PHOSPHORIBOSYLPYROPHOSPHATE SYNTHETASE: MOLECULAR BASIS OF ALLOSTERIC INHIBITION AND ACTIVATION.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 274 |
| Detector technology | IMAGE PLATE |
| Collection date | 1994-05-23 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 63 |
| Unit cell lengths | 115.610, 115.610, 107.750 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.18 |
| Rwork | 0.180 |
| R-free | 0.24000 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.134 * |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | MLPHARE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.420 |
| High resolution limit [Å] | 2.200 | 2.300 |
| Rmerge | 0.068 * | 0.200 |
| Number of reflections | 35812 * | 5098 * |
| <I/σ(I)> | 9 | |
| Completeness [%] | 98.8 | 99.6 |
| Redundancy | 3.4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 * | 298 | AMMONIUM SULFATE; TRISHCL; PEG 400; SODIUM PHOSPHATE; BETA-OCTYLGLUCOSIDE; ALPHA, BETA-METHYLENE ATP; RIBOSE-5-PHOSPHATE; MAGNESIUM SULFATE; ADP, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7 (mg/ml) | |
| 2 | 1 | drop | mADP | 25 (mM) | |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | drop | beta-octylglucoside | 0.5 (%(w/v)) | |
| 5 | 1 | reservoir | sodium citrate | 1 (M) | |
| 6 | 1 | reservoir | HEPES | 0.1 (M) |
