3QCP

QSOX from Trypanosoma brucei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-07-09
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	112.373, 61.399, 74.655
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.480 - 2.300
Rwork	0.197
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 3LLK and 3ED3
RMSD bond length	0.008
RMSD bond angle	1.142
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_629))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	23627
<I/σ(I)>	10.4	1.8
Completeness [%]	99.5	94.5
Redundancy	12.2	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	14-18% w/v polyethylene glycol (PEG) 2K monomethyl ether (MME), 10% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 293K