3CJE

Crystal structure of an osmc-like hydroperoxide resistance protein (jann_2040) from jannaschia sp. ccs1 at 1.70 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.978835
Spacegroup name	P 32 2 1
Unit cell lengths	81.886, 81.886, 70.633
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.803 - 1.700
R-factor	0.145
Rwork	0.144
R-free	0.16400
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.590
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.803	26.803	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.097	0.055	0.812
Total number of observations		3672	16225
Number of reflections	30482
<I/σ(I)>	5.3	10.8	0.9
Completeness [%]	100.0	98	100
Redundancy	10.4	9.5	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.57	293	NANODROP, 1.545M Ammonium dihydrogen phosphate, 0.1M Tris-HCl pH 8.57, VAPOR DIFFUSION, SITTING DROP, temperature 293K