2B3Y
Structure of a monoclinic crystal form of human cytosolic aconitase (IRP1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Collection date | 2003-04-05 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.910, 215.470, 64.010 |
| Unit cell angles | 90.00, 72.00, 90.00 |
Refinement procedure
| Resolution | 29.500 - 1.850 |
| R-factor | 0.213 |
| Rwork | 0.211 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b3x |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.293 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.500 | 2.000 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.063 | 0.262 |
| Number of reflections | 138110 | |
| <I/σ(I)> | 8.6 | 3 |
| Completeness [%] | 99.0 | 92.1 |
| Redundancy | 2 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.1 | 293 | pH 8.1, temperature 293K | |
| 1 | 8.1 | 293 | pH 8.1, temperature 293K | |
| 1 | 8.1 | 293 | pH 8.1, temperature 293K |
