3D4O
Crystal structure of dipicolinate synthase subunit A (NP_243269.1) from BACILLUS HALODURANS at 2.10 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-17 |
| Detector | MARMOSAIC 325 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.650, 142.420, 74.860 |
| Unit cell angles | 90.00, 93.49, 90.00 |
Refinement procedure
| Resolution | 29.775 - 2.100 |
| R-factor | 0.192 |
| Rwork | 0.189 |
| R-free | 0.24000 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.618 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.775 | 2.170 | |
| High resolution limit [Å] | 2.100 | 4.510 | 2.100 |
| Rmerge | 0.076 | 0.033 | 0.458 |
| Number of reflections | 72049 | 14039 | 12905 |
| <I/σ(I)> | 6.99 | 16.1 | 1.9 |
| Completeness [%] | 97.9 | 96.6 | 96 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 14.5% polyethylene glycol 3350, 0.279M di-sodium tartrate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
