4BY8

Microheterogeneous Paracelsin-X from Trichoderma reesei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-06
Detector	MARRESEARCH
Spacegroup name	P 31 1 2
Unit cell lengths	22.020, 22.020, 42.150
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	11.310 - 0.940
R-factor	0.164
R-free	0.21700
Structure solution method	DIRECT METHODS
Starting model (for MR)	NONE
RMSD bond length	0.022
RMSD bond angle	0.050
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SnB
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	11.310	0.990
High resolution limit [Å]	0.940	0.940
Rmerge	0.120	0.490
Number of reflections	7699
<I/σ(I)>	6.3	2
Completeness [%]	98.4	100
Redundancy	3.3	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		294	SLOW EVAPORATION AT ROOM TEMPERATURE