4CW9
Entamoeba histolytica thiredoxin C34S mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2014-03-26 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.457, 47.954, 117.385 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.430 - 1.840 |
| R-factor | 0.19391 |
| Rwork | 0.190 |
| R-free | 0.26920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vim |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.783 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.950 | 1.940 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.040 | 0.360 |
| Number of reflections | 14832 | |
| <I/σ(I)> | 14.1 | 1.9 |
| Completeness [%] | 82.3 | 40.7 |
| Redundancy | 3.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.2 M NACL, 25% PEG 3350 O.1 M BIS-TRIS, PH 5.5 |
