3PIU
High-resolution structure of native Malus domestica ACC synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM1A |
Synchrotron site | ESRF |
Beamline | BM1A |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-09-19 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 103.710, 61.140, 76.830 |
Unit cell angles | 90.00, 123.12, 90.00 |
Refinement procedure
Resolution | 29.300 - 1.350 |
R-factor | 0.149 |
Rwork | 0.149 |
R-free | 0.17100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m7y |
RMSD bond length | 0.005 |
RMSD bond angle | 1.017 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | PHENIX (1.6.1_357) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.300 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Number of reflections | 87561 | |
<I/σ(I)> | 16.95 | 2 |
Completeness [%] | 98.9 | 99.7 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 293 | 27% MPD (v/v) and 50 mM MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |