5EYH
Crystal Structure of IMPase/NADP phosphatase complexed with NADP and Ca2+ at pH 7.0
Replaces: 4G64Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-03-09 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.505, 60.331, 79.939 |
| Unit cell angles | 90.00, 108.28, 90.00 |
Refinement procedure
| Resolution | 75.900 - 2.500 |
| R-factor | 0.1837 |
| Rwork | 0.181 |
| R-free | 0.24150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.842 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP (10.2.35) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 75.905 | 19.579 | 2.630 |
| High resolution limit [Å] | 2.499 | 7.900 | 2.500 |
| Rmerge | 0.026 | 0.485 | |
| Rmeas | 0.103 | ||
| Rpim | 0.037 | 0.010 | 0.191 |
| Total number of observations | 152334 | 4662 | 21759 |
| Number of reflections | 20372 | ||
| <I/σ(I)> | 19.9 | 68.9 | 4.4 |
| Completeness [%] | 99.8 | 93.5 | 99.8 |
| Redundancy | 7.5 | 7.3 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.2M CACL2 2H2O, 0.1M HEPES PH 7.0, 15% (W/V) PEG 3350 |
