2PQY

E. coli RNase 1 (in vitro refolded with DsbA only)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95
Spacegroup name	P 1 21 1
Unit cell lengths	39.571, 49.548, 53.328
Unit cell angles	90.00, 97.68, 90.00

Refinement procedure

Resolution	15.000 - 2.300
Rwork	0.196
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pqx
RMSD bond length	0.007
RMSD bond angle	1.512
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	9192
<I/σ(I)>	11.86	4.65
Completeness [%]	100.0	100
Redundancy	3.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	293	0.1 M MES pH 6.1, 0.1 M NH4AC, 10 % glycerol, 1 mM MgCl2, 25 % polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K