3B8V
Crystal structure of Escherichia coli alaine racemase mutant E221K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-10-18 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 6 |
Unit cell lengths | 148.181, 148.181, 163.689 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 15.000 - 2.600 |
Rwork | 0.227 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2rjg |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 164.399 | 40.930 | 2.740 |
High resolution limit [Å] | 2.600 | 8.220 | 2.600 |
Rmerge | 0.141 | 0.047 | 0.425 |
Total number of observations | 18549 | 80211 | |
Number of reflections | 62549 | ||
<I/σ(I)> | 5.2 | 12.7 | 1.8 |
Completeness [%] | 100.0 | 99.1 | 100 |
Redundancy | 9.3 | 9.2 | 8.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 277 | 0.1M MES, 1.6M ammonium sulfate, pH6.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |