3QNS

DyPB from Rhodococcus jostii RHA1, crystal form 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	H 3 2
Unit cell lengths	127.699, 127.699, 178.242
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.930 - 1.400
R-factor	0.131
Rwork	0.130
R-free	0.14750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.420
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	93.972	33.929	1.480
High resolution limit [Å]	1.400	4.430	1.400
Rmerge	0.049	0.019	0.387
Total number of observations		25197	81293
Number of reflections	108171
<I/σ(I)>	16.3	31.3	2
Completeness [%]	98.9	97.4	96.2
Redundancy	6.1	7.1	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1.26 M ammonium sulfate, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K