1E7Y
ACTIVE SITE MUTANT (D177->N) OF GLUCOSE 6-PHOSPHATE DEHYDROGENASE FROM LEUCONOSTOC MESENTEROIDES COMPLEXED WITH SUBSTRATE AND NADPH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1998-01-15 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 129.000, 44.000, 91.100 |
Unit cell angles | 90.00, 105.20, 90.00 |
Refinement procedure
Resolution | 22.900 - 2.480 |
R-factor | 0.205 |
Rwork | 0.205 |
R-free | 0.29600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | REFINED COORDINATES OF APO-ENZYME IN THE SAME SPACEGROUP |
RMSD bond length | 0.006 |
RMSD bond angle | 22.200 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.851) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.900 | 2.590 |
High resolution limit [Å] | 2.480 | 2.480 |
Rmerge | 0.106 * | 0.460 * |
Total number of observations | 38083 * | |
Number of reflections | 16723 | |
<I/σ(I)> | 9 | 2.7 |
Completeness [%] | 93.6 | 82.1 |
Redundancy | 2.6 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | HANGING DROP VAPOUR DIFFUSION, 2+2 MICROLITER DROPS. IN THE WELL BUFFER: 14% W/V PEG 400 IN 0.1M HEPES-NAOH, PH 7.5 WITH 0.2M CALCIUM CHLORIDE. THE PROTEIN AT 15MG/ML, WITH 2.3MM GLUCOSE 6-PHOSPHATE AND 0.6MM NADPH. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | enzyme | 15 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 0.1 (M) | |
3 | 1 | drop | NAD+ | 29 (mM) | |
4 | 1 | reservoir | PEG400 | 20 (%(v/v)) | |
5 | 1 | reservoir | HEPES/NaOH | 0.1 (M) | |
6 | 1 | reservoir | 0.2 (M) |