3LXM
2.00 Angstrom resolution crystal structure of a catalytic subunit of an aspartate carbamoyltransferase (pyrB) from Yersinia pestis CO92
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.620, 120.409, 126.698 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.18134 |
| Rwork | 0.179 |
| R-free | 0.21694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ekx |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.674 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.075 | 0.539 |
| Number of reflections | 70940 | |
| <I/σ(I)> | 20.28 | 3.39 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.3 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 7.4 mg/mL protein in 10 mM Tris/HCl pH 8.3, 0.25 M NaCl, 5 mM BME; The JCSG+ condition #2 (0.1 M tri-sodium citrate, 20% (w/v) PEG 3000), VAPOR DIFFUSION, SITTING DROP, temperature 295K |
