7PQ9

Crystal structure of Bacillus clausii pdxR at 2.8 Angstroms resolution

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 61 2 2
Unit cell lengths	250.840, 250.840, 370.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	125.735 - 2.800
Rwork	0.209
R-free	0.25370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mgr
RMSD bond length	0.008
RMSD bond angle	1.706
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	125.420	2.870
High resolution limit [Å]	2.800	2.800
Number of reflections	164628	12078
<I/σ(I)>	15.5
Completeness [%]	98.6
Redundancy	25.1
CC(1/2)	0.999	0.279

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		291	33% (vol/vol) PEG400, 200 mM calcium acetate, and 200 mM imidazole, pH7.5.