2ZRK
MsRecA Q196A dATP form IV
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-01-12 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 61 |
Unit cell lengths | 102.119, 102.119, 74.220 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.480 - 3.200 |
R-factor | 0.203 |
Rwork | 0.203 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ubc |
RMSD bond length | 0.008 |
RMSD bond angle | 1.800 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.370 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.140 | 0.436 |
Number of reflections | 7364 | |
<I/σ(I)> | 13.9 | 4.2 |
Completeness [%] | 99.8 | 100 |
Redundancy | 6.5 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 296 | 80mM citrate/phosphate buffer(pH 6.9), 80mM NaCl, 40mM ammonium acetate, 20mM sodium citrate, 6% poly-ethylene glycol 3350, 30% poly-ethylene glycol 3350, 200mM ammonium acetate in sodium citrate buffer(PH 5.8), VAPOR DIFFUSION, HANGING DROP, temperature 296K |