1TXX
ACTIVE-SITE VARIANT OF E.COLI THIOREDOXIN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 277 |
Detector technology | AREA DETECTOR |
Collection date | 1996-12-11 |
Detector | SIEMENS |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 42.530, 42.530, 105.240 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.200 |
R-factor | 0.171 * |
Rwork | 0.171 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2trx |
RMSD bond length | 0.011 |
RMSD bond angle | 2.270 |
Data reduction software | XSCALIBRE |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | TNT (5D) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.083 * | 0.173 * |
Total number of observations | 37820 * | |
Number of reflections | 5979 | |
<I/σ(I)> | 20 | |
Completeness [%] | 98.0 | 95 |
Redundancy | 6.3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 293 * | DROPS (6 ML) OF 0.050 M SODIUM SUCCINATE BUFFER, PH 4.2, CONTAINING CVWC THIOREDOXIN (10 MG/ML), METHYL-ETHER PEG2000 (10% W/V) AND CUPRIC ACETATE (1 MM) WERE SUSPENDED OVER 1.0 ML WELLS OF 0.10 M SODIUM SUCCINATE BUFFER, PH 4.2, CONTAINING METHYL-ETHER PEG 2000 (20% W/V) AND CUPRIC ACETATE (2 MM)., VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | sodium succinate | 0.050 (M) | |
2 | 1 | drop | protein | 10 (mg/ml) | |
3 | 1 | drop | mPEG2000 | 10 (%(w/v)) | |
4 | 1 | drop | copper(II) acetate | 1 (mM) | |
5 | 1 | reservoir | sodium succinate | 0.10 (M) | |
6 | 1 | reservoir | mPEG2000 | 20 (%(w/v)) | |
7 | 1 | reservoir | copper(II) acetate | 2 (mg/ml) |