1NFG
Structure of D-hydantoinase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU ULTRAX 18 |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2002-07-11 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.700, 170.500, 87.300 |
Unit cell angles | 90.00, 95.20, 90.00 |
Refinement procedure
Resolution | 15.000 * - 2.700 |
R-factor | 0.221 |
Rwork | 0.220 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gkq |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | CrystalClear ((MSC/RIGAKU)) |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.790 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.095 | 0.237 |
Total number of observations | 139372 * | |
Number of reflections | 53883 | |
<I/σ(I)> | 7 | 3 |
Completeness [%] | 98.5 | 96.8 |
Redundancy | 2.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 4 * | 16% PEG6000, 0.1M Bicine, 0.005M CdCl2, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | Tris-HCl | 20 (mM) | pH8.0 |
2 | 1 | drop | imidazole | 50 (mM) | |
3 | 1 | drop | 100 (mM) | ||
4 | 1 | drop | protein | 15 (mg/ml) | |
5 | 1 | reservoir | PEG6000 | 16 (%) | |
6 | 1 | reservoir | Bicine | 0.1 (M) | |
7 | 1 | reservoir | 0.005 (M) | pH8.5 |