1XIK
RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 BETA CHAIN
Experimental procedure
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID2 |
Synchrotron site | ESRF |
Beamline | ID2 |
Temperature [K] | 103 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 300 mm plate |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.440, 83.530, 113.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.700 |
R-factor | 0.206 * |
Rwork | 0.206 |
R-free | 0.28000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | DIFERRIC FORM OF R2 PROTEIN PDB ENTRY 1RIB |
RMSD bond length | 0.013 |
RMSD bond angle | 16.300 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 |
Phasing software | AMoRE |
Refinement software | TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.064 | 0.417 |
Total number of observations | 370705 * | |
Number of reflections | 76518 | |
<I/σ(I)> | 5.9 | 1.5 |
Completeness [%] | 98.8 | 94.7 |
Redundancy | 4.84 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | HANGING DROP VAPOR DIFFUSION METHOD, 20% PEG 4000, 0.2M NACL, 50MM MES BUFFER PH 6.0, 1MM ETHYLMERCURY SALICYLATE, vapor diffusion - hanging drop |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 22 (%) | |
2 | 1 | reservoir | 0.2 (M) | ||
3 | 1 | reservoir | MES | 50 (mM) | |
4 | 1 | reservoir | ethylmercury thiosalicylate | 1 (mM) |