3B8U
Crystal structure of Escherichia coli alaine racemase mutant E221A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-09-16 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 6 |
Unit cell lengths | 147.952, 147.952, 163.438 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 15.000 - 3.000 |
Rwork | 0.215 |
R-free | 0.22400 |
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 | 37.850 | 3.160 |
High resolution limit [Å] | 3.000 | 9.490 | 3.000 |
Rmerge | 0.164 | 0.053 | 0.391 |
Total number of observations | 7081 | 26837 | |
Number of reflections | 39617 | ||
<I/σ(I)> | 4.4 | 12.3 | 1.9 |
Completeness [%] | 97.5 | 92.7 | 98.8 |
Redundancy | 5.2 | 5.8 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.1M HEPES, 1.6M ammonium sulfate, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |