3C71
Structure of a ResA variant with a DsbA-like active site motif (CPHC)
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 | 2006-02-13 |
| Detector | ESRF |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 65 |
| Unit cell lengths | 36.975, 36.975, 177.665 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.740 - 1.900 |
| R-factor | 0.16651 |
| Rwork | 0.164 |
| R-free | 0.21112 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.364 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.030 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 10145 | |
| <I/σ(I)> | 15.8 | 4.6 |
| Completeness [%] | 93.4 | 67.8 |
| Redundancy | 6.4 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 289 | 27% PEG 4000, 0.1M tri-Sodium Citrate pH 5.6, 0.2 M Ammonium acetate, 10mM DTT. Protein concentration was 15 mg/ml, in 20 mM MOPS pH 7., VAPOR DIFFUSION, SITTING DROP, temperature 289K |
