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 |
