4RQR
Crystal Structure of Human Glutaredoxin with MESNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 27.847, 55.414, 130.357 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.710 - 1.080 |
| R-factor | 0.17339 |
| Rwork | 0.172 |
| R-free | 0.19517 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kte |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.163 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.710 | 1.130 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Rmerge | 0.051 | 0.450 |
| Number of reflections | 31162 | |
| <I/σ(I)> | 19.5 | 2.3 |
| Completeness [%] | 70.4 | 13.2 |
| Redundancy | 5.3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 293 | 20% PEG 8K, 0.1 M phosphate citrate, 0.2M NaCl, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
