4K2X

OxyS anhydrotetracycline hydroxylase from Streptomyces rimosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	76.060, 115.130, 121.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.050 - 2.550
R-factor	0.1887
Rwork	0.187
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fmw
RMSD bond length	0.010
RMSD bond angle	1.240
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.050	11.400	2.620
High resolution limit [Å]	2.550	8.060	2.550
Rmerge	0.081	0.034	0.507
Number of reflections	31457	667	2214
<I/σ(I)>	13.58	29.76	3.37
Completeness [%]	89.0	86	85.6
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	16% PEG-8000, 0.1M Na/K phosphate pH 6.0, 0.2M NaCl, vapor diffusion, hanging drop, temperature 298K