6DZS
Mycobacterial homoserine dehydrogenase ThrA in complex with NADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-06-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.800, 110.320, 97.530 |
Unit cell angles | 90.00, 91.83, 90.00 |
Refinement procedure
Resolution | 44.583 - 2.620 |
R-factor | 0.2082 |
Rwork | 0.206 |
R-free | 0.24460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mtj |
RMSD bond length | 0.003 |
RMSD bond angle | 0.534 |
Data reduction software | XDS (VERSION Nov 1, 2016 BUILT=20170215) |
Data scaling software | XSCALE (VERSION Nov 1, 2016 BUILT=20170215) |
Phasing software | PHASER (2.7.17) |
Refinement software | PHENIX (dev_3139) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.583 | 44.583 | 2.690 |
High resolution limit [Å] | 2.620 | 11.720 | 2.620 |
Rmerge | 0.105 | 0.024 | 1.428 |
Rmeas | 0.118 | 0.027 | 1.596 |
Number of reflections | 59735 | 699 | 4382 |
<I/σ(I)> | 13.55 | 44.76 | 1.27 |
Completeness [%] | 99.9 | 98 | 100 |
Redundancy | 5.101 | 4.763 | 5.119 |
CC(1/2) | 0.998 | 0.999 | 0.489 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 0.1 M HEPES, pH 7.0, 1.0 M lithium chloride, 20% PEG6000 |