4B4L
CRYSTAL STRUCTURE OF AN ARD DAP-KINASE 1 MUTANT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.385, 83.798, 84.603 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.540 - 1.750 |
| R-factor | 0.19336 |
| Rwork | 0.192 |
| R-free | 0.21981 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xuu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.312 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.540 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.120 | 0.990 |
| Number of reflections | 34315 | |
| <I/σ(I)> | 12.7 | 2.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.2M AMMONIUM SULFATE, 0.1M BIS-TRIS PH 5.5, 25%(W/V) POLYETHYLENE GLYCOL 3350 |
