2AG8
NADP complex of Pyrroline-5-carboxylate reductase from Neisseria meningitidis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-08-23 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.97917 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 89.701, 49.826, 65.445 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.18099 |
Rwork | 0.177 |
R-free | 0.25244 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yqg |
RMSD bond length | 0.023 |
RMSD bond angle | 1.937 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MERLOT |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.086 | 0.391 |
Number of reflections | 14057 | |
<I/σ(I)> | 14.1 | 1.72 |
Completeness [%] | 78.4 | 35.2 |
Redundancy | 2.7 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | Ammonium sulfate, HEPES, PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |