5KIK

CmlA beta-hydroxylase in chemically reduced diferrous state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 43 21 2
Unit cell lengths	153.529, 153.529, 93.043
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.880 - 2.200
R-factor	0.18141
Rwork	0.180
R-free	0.21300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4jo0
RMSD bond length	0.013
RMSD bond angle	1.709
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.7.0029)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.900	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.132	0.560
Number of reflections	58432
<I/σ(I)>	27	5.4
Completeness [%]	98.8	98.6
Redundancy	8.4	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	PEG 20000, potassium acetate, HEPES, glycerol