2IW4
CRYSTAL STRUCTURE OF BASILLUS SUBTILIS FAMILY II INORGANIC PYROPHOSPHATASE MUTANT, H98Q, IN COMPLEX WITH PNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-05-26 |
| Detector | RIGAKU RAXIS IV IMAGE PLATE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.908, 115.249, 148.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.150 |
| R-factor | 0.17 |
| Rwork | 0.169 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wpm |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.472 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (1.1) |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.090 | 0.400 |
| Number of reflections | 50598 | |
| <I/σ(I)> | 15 | 3.3 |
| Completeness [%] | 98.9 | 97.9 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 100MM HEPES/K (PH 7.5) 2.3-2.5M AMMONIUM SULPHATE 3-4% PEG 400 |
