3ZVU
Structure of the PYR1 His60Pro mutant in complex with the HAB1 phosphatase and Abscisic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.480, 66.050, 172.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.290 - 2.100 |
| R-factor | 0.18282 |
| Rwork | 0.180 |
| R-free | 0.23567 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qn1 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.740 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.290 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.200 |
| Rmerge | 0.090 | 0.440 |
| Number of reflections | 31132 | |
| <I/σ(I)> | 19.7 | 4.42 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 7.14 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 293 | 0.25M AMSO4, 19% PEG 3350 AT 20 DEG. C, pH 7.5 |
