3DVX

Crystal structure of reduced DsbA3 from Neisseria meningitidis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Spacegroup name	I 41 2 2
Unit cell lengths	159.979, 159.979, 76.888
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.790 - 2.800
R-factor	0.22964
Rwork	0.227
R-free	0.28605
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dvw
RMSD bond length	0.008
RMSD bond angle	1.177
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.950
High resolution limit [Å]	2.800	2.800
Number of reflections	12602
<I/σ(I)>	6.3	2.7
Completeness [%]	100.0	100
Redundancy	12.9	13.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				2.2 M Ammonium sulfate, 0.25 M Sodium malonate, 0.1 M MES pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 281K